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  • Electronic Resource  (19,150)
  • 1990-1994  (10,783)
  • 1985-1989  (8,367)
  • Analytical Chemistry and Spectroscopy  (13,299)
  • Engineering  (5,851)
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  • Electronic Resource  (19,150)
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  • 1
    Electronic Resource
    Electronic Resource
    Theory of medium-rank second-order calibration with restricted-Tucker models (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 21-36 
    Details
    ISSN: 0886-9383
    Keywords: GRAM ; Tucker ; Unfold ; NBRA ; Second-order ; Three-way ; PARAFAC ; Trilinear ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: If an analytical instrument or instrumental method gives a response matrix when analyzing a pure analyte, the instrument or instrumental method is called a second-order method. Second-order methods that generate a response matrix for a pure analyte of rank one are called rank-one second-order methods. If the response matrix of a pure analyte is not rank one, essentially two cases exist: medium rank (between two and five) and high rank (greater than five). Subsequently, medium- and high-rank second-order calibration tries to use medium- and high-rank second-order methods to analyze for analytes of interest in a mixture. A particular advantage of second-order methods is the ability to analyze for analytes of interest in a mixture which contains unknown interferences. Keeping this advantage is the challenge on moving away from rank-one second-order calibration methods. In this paper a medium-rank second-order calibration method is proposed based on least-squares restricted Tucker models. With this method the second-order advantage is retained.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080104
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  • 2
    Electronic Resource
    Electronic Resource
    A graphical technique for assessing differences among a set of rankings (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 81-93 
    Details
    ISSN: 0886-9383
    Keywords: Sensory evaluation ; Cumulative ranks ; Assessor variation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A graphical method of assessing differences between sets of rankings based on cumulative ranks is developed. The method can be used to identify rankings that differ over all or just part of the range of objects ranked. The method is applied to an example of sensory evaluation of green peas in which ten assessors scored six attributes on each of 60 samples.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080108
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  • 3
    Electronic Resource
    Electronic Resource
    Diary (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080202
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  • 4
    Electronic Resource
    Electronic Resource
    Slowly converging parafac sequences: Swamps and two-factor degeneracies (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 155-168 
    Details
    ISSN: 0886-9383
    Keywords: Trilinear models ; Tensorial resolution ; PARAFAC ; Swamps ; Two-factor degeneracy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The alternating least squares PARAFAC algorithm is a useful tool for resolving trilinear three-way data arrays. Occasionally, however, it becomes bogged down for many iterations in the vicinity of a poor quality resolution before moving on to a much superior optimum fit. We investigate this behavior in a simulation study and suggest ways of overcoming the obstacles it presents.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080207
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  • 5
    Electronic Resource
    Electronic Resource
    UNSCRAMBLER II, Extended Memory Version 5.0, available from CAMO A/S, Olav Tryggvasons Gate 24, N-7011 Trondheim, Norway (telephone (+47 73) 51 49 66) or from Camo U.S.A., 722 Port Walk Place, Redwood Shores, CA 94065, U.S.A. (telephone 1-(415) 598-9860). Single-copy price NOK 26,900 commercial, NOK 18,800 non-commercial, NOK 11,900 academic (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 175-176 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080209
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  • 6
    Electronic Resource
    Electronic Resource
    Diary (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080302
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  • 7
    Electronic Resource
    Electronic Resource
    Generalized rank annihilation method. II: Bias and variance in the estimated eigenvalues (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 181-203 
    Details
    ISSN: 0886-9383
    Keywords: RAFA ; GRAM ; Eigenvalues ; Bias ; Variance ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Rank annihilation factor analysis (RAFA) is a method for multicomponent calibration using two data matrices simultaneously, one for the unknown and one for the calibration sample. In its most general form, the generalized rank annihilation method (GRAM), an eigenvalue problem has to be solved. In this second paper expressions are derived for predicting the bias and variance in the eigenvalues of GRAM. These expressions are built on the analogies between a reformulation of the eigenvalue problem and the prediction equations of univariate and multivariate calibration. The error analysis will also be performed for Lorber's formulation of RAFA. It will be demonstrated that, depending on the size of the eigenvalue, large differences in performance must be expected. A bias correction technique is proposed that effectively eliminates the bias if the error in the bias estimate is not too large. The derived expressions are evaluated by Monte Carlo simulations. It is shown that the predictions are satisfactory up to the limit of detection. The results are not sensitive to an incorrect choice of the dimension of the factor space.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080303
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  • 8
    Electronic Resource
    Electronic Resource
    Reply to comments: ‘Data analysis with minimal assumptions’ (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 301-302 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080412
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  • 9
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080501
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  • 10
    Electronic Resource
    Electronic Resource
    Classification of pyrolysis mass spectra of biological materials using convex cones (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 305-331 
    Details
    ISSN: 0886-9383
    Keywords: Pyrolysis ; Mass spectroscopy ; Multivariate analysis ; Biological material identification ; Convexity ; Cones ; Subspaces ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This work addresses the classification of high-dimensional time-dependent pyrolysis mass spectra of biological samples. The aim was the detection and classification of biological agents, and the developed approach resembles mixture analysis. The data were projected on to a low-dimensional subspace using singular value decomposition. Then a convex cone was formed on this subspace, showing as its corners physically meaningful components of the sample. This technique enabled separation of a biological material signal largely independent of the absolute amount of sample. The detection of the presence of any biological material could be accomplished based on the convex cone alone, without other reference to the mass spectra. Automated clustering of samples was successfully carried out using a minimal spanning tree.
    Additional Material: 20 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080503
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  • 11
    Electronic Resource
    Electronic Resource
    Erratum (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 373-373 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080508
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  • 12
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080101
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  • 13
    Electronic Resource
    Electronic Resource
    Bootstrap accuracy for non-linear regression models (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 37-44 
    Details
    ISSN: 0886-9383
    Keywords: Bootstrap ; Confidence interval ; Non-linear regression ; Monte Carlo methods ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Non-linear regression models describing the toxicity of a mixture of rotenone and pyrethrins as an insecticide, the catalytic dehydration of n-hexyl alcohol and the Michaelis-Menten model for characterizing reaction rates in enzyme systems will be used to illustrate the accuracy of bootstrap methods in non-linear regression. Classical and bootstrap confidence intervals for the parameter estimates will be presented.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080105
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  • 14
    Electronic Resource
    Electronic Resource
    SCAN (Software for Chemometric Analysis), available from JerII, Inc., North American Office: 790 Esplanada, Stanford, CA 94305, U.S.A. (telephone (415) 856-3401); European Office: via V. Pisani 13, 20124 Milano, Italy (telephone 39-2-26603247). Price US$ 3000 commercial, US$ 2000 academic (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 95-96 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080109
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  • 15
    Electronic Resource
    Electronic Resource
    Announcement (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 102-102 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080113
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  • 16
    Electronic Resource
    Electronic Resource
    A PLS kernel algorithm for data sets with many variables and fewer objects. Part 1: Theory and algorithm (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 111-125 
    Details
    ISSN: 0886-9383
    Keywords: PLS regression algorithm ; Kernel ; Many-variable data sets ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A fast PLS regression algorithm dealing with large data matrices with many variables (K) and fewer objects (N) is presented For such data matrices the classical algorithm is computer-intensive and memory-demanding. Recently, Lindgren et al. (J. Chemometrics, 7, 45-49 (1993)) developed a quick and efficient kernel algorithm for the case with many objects and few variables. The present paper is focused on the opposite case, i.e. many variables and fewer objects. A kernel algorithm is presented based on eigenvectors to the ‘kernel’ matrix XX TYYT, which is a square, non-symmetric matrix of size N × N, where N is the number of objects. Using the kernel matrix and the association matrices XXT (N × N) and YYT (N × N), it is possible to calculate all score and loading vectors and hence conduct a complete PLS regression including diagnostics such as R2. This is done without returning to the original data matrices X and Y. The algorithm is presented in equation form, with proofs of some new properties and as MATLAB code.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080204
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  • 17
    Electronic Resource
    Electronic Resource
    Comments on the PLS kernel algorithm (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 169-174 
    Details
    ISSN: 0886-9383
    Keywords: Kernel algorithm ; PLS ; SVD ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Lindgren et al. (J. Chemometrics, 7, 45-49 (1993)) published a so-called kernel algorithm for PLS regression of Y against X when the number of objects is very large. The algorithm is based solely on deflation of the cross-product matrices XTX, YTY and XTY. The algorithm is now described in a shorter and more transparent way and compared with a similar algorithm for the singular value decomposition of XTY.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080208
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  • 18
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080301
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  • 19
    Electronic Resource
    Electronic Resource
    Evaluation and control of measurements, John Mandel, Quality and Reliability Series, Marcel Dekker, New York, 1991, ISBN O-8247-8531-2, xi + 249 pp. £58.77 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 241-241 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080306
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  • 20
    Electronic Resource
    Electronic Resource
    Generalized rank annihilation method. III: Practical implementation (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 273-285 
    Details
    ISSN: 0886-9383
    Keywords: GRAM ; Least-squares problem ; Eigenvalue problem ; NIPALS ; Performance index ; Condition number ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this paper we discuss the practical implementation of the generalized rank annihilation method (GRAM). The practical implementation comes down to developing a computer program where two critical steps can be distinguished: the construction of the factor space and the oblique rotation of the factors. The construction of the factor space is a least-squares (LS) problem solved by singular value decomposition (SVD), whereas the rotation of the factors is brought about by solving an eigenvalue problem. In the past several formulations for GRAM have been published. The differences essentially come down to solving either a standard eigenvalue problem or a generalized eigenvalue problem. The first objective of this paper is to discuss the numerical stability of the algorithms resulting from these formulations. It is found that the generalized eigenvalue problem is only to be preferred if the construction of the factor space is not performed with maximum precision. This is demonstrated for the case where the dominant factors are calculated by the non-linear iterative partial least-squares (NIPALS) algorithm. Several performance measures are proposed to investigate the numerical accuracy of the computed solution. The previously derived bias and variance are proposed to estimate the number of physically significant digits in the computed solution. The second objective of this paper is to discuss the relevance of theoretical considerations for application of GRAM in the presence of model errors.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080406
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  • 21
    Electronic Resource
    Electronic Resource
    Comments on ‘Data analysis with minimal assumptions’ (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 299-301 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080411
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  • 22
    Electronic Resource
    Electronic Resource
    Diary (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080502
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  • 23
    Electronic Resource
    Electronic Resource
    Interactive variable selection (IVS) for PLS. Part 1: Theory and algorithms (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 349-363 
    Details
    ISSN: 0886-9383
    Keywords: Variable selection ; PLS ; Calibration ; Modelling ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A modified PLS algorithm is introduced with the goal of achieving improved prediction ability. The method, denoted IVS-PLS, is based on dimension-wise selective reweighting of single elements in the PLS weight vector w. Cross-validation, a criterion for the estimation of predictive quality, is used for guiding the selection procedure in the modelling stage. A threshold that controls the size of the selected values in w is put inside a cross-validation loop. This loop is repeated for each dimension and the results are interpreted graphically. The manipulation of w leads to rotation of the classical PLS solution. The results of IVS-PLS are different from simply selecting X-variables prior to modelling. The theory is explained and the algorithm is demonstrated for a simulated data set with 200 variables and 40 objects, representing a typical spectral calibration situation with four analytes. Improvements of up to 70% in external PRESS over the classical PLS algorithm are shown to be possible.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080505
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  • 24
    Electronic Resource
    Electronic Resource
    Diary (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080602
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  • 25
    Electronic Resource
    Electronic Resource
    A frequency deconvolution procedure using a conjugate gradient minimization method with suitable constraints (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 409-421 
    Details
    ISSN: 0886-9383
    Keywords: Deconvolution ; FT-IR spectroscopy ; Protein conformations ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In a variety of spectroscopic techniques the fundamental problem exists of determination of the individual spectral components, intrinsically overlapped in the measured spectrum. This is a typical deconvolution problem and several methods and techniques have been proposed for its solution in the technical literature, but suggestions of new approaches are still of interest. A new deconvolution procedure is presented here based on the use of the conjugate gradient minimization algorithm with the addition of sutiable constraints directly obtained by the application to the measured spectrum of the second-derivative operator or more sophisticated resolution enhancement procedures. Since in the examined case deconvolution essentially requires the minimization of a non-convex function, the use of such constraints is extremely important to supply suitable input parameters to the conjugate gradient algorithm to avoid obtaining minimum points which have no physical meaning. In our case each spectral compoent used for deconvolution has been assumed to have a Gaussian analytical definition fully identified by three parameters (amplitude, central frequency, spectral bandwidth), so that the input values required to start the deconvolution process are the number M of Gaussian components and 3M suitable initial approximations of the parameters above. It is shown that all this information can be obtained from the measured data. The deconvolution procedure was implemented by a FORTRAN Microsoft Version 5.1 program and experimental results relative to spectroscopic data obtained by FT-IR analysis of human serum albumin are reported. The results are discussed and compared with data obtained by the use of other techniques.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080606
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  • 26
    Electronic Resource
    Electronic Resource
    Experimental design: A chemometric approach, 2nd edn, Stanley N. Deming and Stephen L. Morgan, Elsevier, Amsterdam, 1993, ISBN 0-444-891 11-0, 453 pp. $177.25, Dfl 310.00 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 446-448 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080610
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  • 27
    Electronic Resource
    Electronic Resource
    Announcement (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080611
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  • 28
    Electronic Resource
    Electronic Resource
    Diary (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080402
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  • 29
    Electronic Resource
    Electronic Resource
    Editorial (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 243-243 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080403
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  • 30
    Electronic Resource
    Electronic Resource
    Direct distance measures in factor analysis spectral resolution (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 245-261 
    Details
    ISSN: 0886-9383
    Keywords: Factor analysis ; Spectral resolution ; Two-dimensional luminescence ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A factor analysis algorithm that estimates the spectra of mixture components using the set of most dissimilar rows and/or columns is described and illustrated. This algorithm uses the distance as a measure of spectral similarity and is suitable for application to a variety of the bilinear matrix-formatted data types produced by hyphenated and multidimensional analytical techniqes. The algorithm requires that the data matrix contain at least one row or column that corresponds to the pure spectrum of each component to effect accurate spectral resolution. The performance of the method is illustrated using the resolution of excitation and emission spectra of up to four components from experimental fluorescence excitation-emission matrices (EEMs). In the case of the EEM, characteristic bands in an emission spectrum effect resolution of the excitation spectrum of the corresponding component, while characteristic bands in an excitation spectrum lead to resolution of the corresponding emission spectrum. The use of the set of most dissimilar rows and columns to evaluate the degree of overlap in the component spectra and compare the quality of row and column solutions is also described.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080404
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    Electronic Resource
    Methods for experimental design, Jacques L. Goupy, Elsevier, Amsterdam, 1993, ISBN 0-444-89529-9, 465 pp., 325 fl (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 293-294 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080408
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  • 32
    Electronic Resource
    Electronic Resource
    Correction (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 303-303 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080413
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  • 33
    Electronic Resource
    Electronic Resource
    Quantitative analysis of latex in paper coatings by ATR-FTIR spectroscopy (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 333-347 
    Details
    ISSN: 0886-9383
    Keywords: PLS ; ATR ; Paper ; Resolution ; Infrared ; FTIR ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Attenuated total reflectance Fourier transform infrared spectrometry (ATR-FTIR) has been used to determine the amount of styrene-butadiene latex on the surface of coated papers and to predict the composition of the polymer. Spectrum recording was performed on the sample in its usual form without any modification.For quantitative analysis, partial least squares (PLS) regression, principal component regression (PCR) and multi-linear regression (MLR) were used to calculate models for prediction. The best result is obtained with PLS.We analysed two series of paper samples. The first analysis concerns the measurement of the quantity of latex of a constant quality on the coating surface. For 15 samples the concentration varied between 5 and 25 parts (grams per 100g of mineral pigments). We compared the predictive results at various resolutions. We obtained a relative error of 0.15 parts in latex at 4 cm-1 resolution. The second analysis concerns the measurement of the styrene/butadiene ratio in various types of latex. We obtained a relative error of 0.156 parts for styrene determination and 0.161 parts for butadiene determination.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080504
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  • 34
    Electronic Resource
    Electronic Resource
    PCB method applied to material design - computer-aided synthesis of BiPbSrCaCuOF superconductor (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 439-443 
    Details
    ISSN: 0886-9383
    Keywords: Pattern recognition ; Principal component analysis ; Inverse mapping ; Optimization ; Material design ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An inverse mapping method called PCB (principal component backing), in which the point representing an unknown sample from a low-dimensional principal component subspace is back-projected to the high-dimensional original feature space, is proposed. Two sorts of boundary conditions, non-linear inverse mapping and linear inverse mapping, are used to obtain an accurate solution in the PCB method. The method is applied to the material design of high-Tc superconductors, predicting the composition and process conditions for the synthesis of F-doped Bi-based materials. Samples in the ‘optimal’ region with the highest Tc of the Bi-based ceramics have been predicted.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080608
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  • 35
    Electronic Resource
    Electronic Resource
    Application of a genetic algorithm to feature selection under full validation conditions and to outlier detection (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 65-79 
    Details
    ISSN: 0886-9383
    Keywords: Genetic algorithms ; Full validation ; Feature selection ; Outlier detection ; Multivariate analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Genetic algorithms have been proved to be a very efficient method in the feature selection problem. However, as for every other method, if the validation of the results is performed in an incomplete way, erroneous conclusions can be drawn. In this paper a development of a previous genetic algorithm is presented so that a full validation of the results can be obtained. Furthermore, this algorithm has been shown to perform very well also as an outlier detector, allowing easy identification of the presence of outliers even in cases where the ‘classical’ techniques fail.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080107
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  • 36
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    Electronic Resource
    CHESM-93, Chemometrics and Environmetrics Meeting, Bologna Italy, 21-24 August 1993 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 99-100 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080111
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  • 37
    Electronic Resource
    Electronic Resource
    Call for papers (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 101-101 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080112
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  • 38
    Electronic Resource
    Electronic Resource
    Generalized rank annihilation method. I: Derivation of eigenvalue problems (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 147-154 
    Details
    ISSN: 0886-9383
    Keywords: RAFA ; GRAM ; Eigenvalue problem ; Complex solution ; Degenerate solution ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Rank annihilation factor analysis (RAFA) is a method for multicomponent calibration using two data matrices simultaneously, one for the unknown and one for the calibration sample. In its most general form, the generalized rank annihilation method (GRAM), an eigenvalue problem has to be solved. In this first paper different formulations of GRAM are compared and a slightly different eigenvalue problem will be derived. The eigenvectors of this specific eigenvalue problem constitute the transformation matrix that rotates the abstract factors from principal component analysis (PCA) into their physical counterparts. This reformulation of GRAM facilitates a comparison with other PCA-based methods for curve resolution and calibration. Furthermore, we will discuss two characteristics common to all formulations of GRAM, i.e. the distinct possibility of a complex and degenerate solution. It will be shown that a complex solution-contrary to degeneracy-should not arise for components present in both samples for model data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080206
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  • 39
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    Electronic Resource
    Efficiency in research, development and production: The statistical design and analysis of chemical experiments, Leslie Davies, Royal Society of Chemistry, Cambridge, 1993, ISBN 0 85186 137 7 xii + 180 pp., available from The Royal Society of Chemistry, Turpin Distribution Services, Ltd., Blackhorse Road, Letchworth, Herts SG6 IHN, U.K., £19.50 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 177-178 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080210
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  • 40
    Electronic Resource
    Electronic Resource
    Conference announcement (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 179-180 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080211
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  • 41
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    Electronic Resource
    Identifying significant effects in fractional factorial experiments (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 205-219 
    Details
    ISSN: 0886-9383
    Keywords: Fractional factorial design ; Significant effects ; ANOVA ; Probability plotting ; Bayes plot ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper presents a method for identifying significant effects in fractional factorial designs. The method is based on comparing functions of the estimated effects with a scale invariant reference distribution. The method is illustrated and compared with alternative techniques on a dataset from processed cheese production. The method corresponded well to other methods (probability plotting and Bayes plot) that do not make use of error estimates. These methods were better than F-tests with few (two or four) degrees of freedom for error.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080304
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  • 42
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080401
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  • 43
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    Electronic Resource
    Non-linear least squares refinement with constraints. Evaluation through curve fitting on emulated XPS-like spectra and application to the analysis of carbon fibres (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 221-239 
    Details
    ISSN: 0886-9383
    Keywords: Fitting ; Non-linear ; Least squares ; Refinement ; Constraints ; MSE ; Confidence ; C ls ; XPS ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A non-linear least squares iterative refinement has been implemented which shows high performance on a multiple-peak spectrum including baseline or background. Constraints as well as links within a range are introduced to drive the mathematical optimization: each peak parameter (i.e. height, position, Gaussian/Lorentzian mixing ratio and HWHM on both left and right sides) has assigned to it an allowed range of variation and can be strained to be correlated with other parameters belonging either to the same peak (symmetrical peaks) or to other peaks (doublets, triplets, etc.). Peak shapes typical of XP spectra are used and applications in the field of XPS are discussed. Through emulated curves with Poisson distributed noise, the accuracy and precision of back-calculated (refined) parameters have been estimated. Moreover, a confidence level calculated from X2 and degrees of freedom has been suggested to check the overall fitting of experimental curves where the signal-to-noise ratio is a priori unknown. An application to real C ls XP spectra is described as an example and a list of suggestions is given to match operator requirements. Finally, features of NLLSRC are discussed with respect to other approaches.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080305
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  • 44
    Electronic Resource
    Electronic Resource
    New molecular descriptors for 2D and 3D structures. Theory (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 263-272 
    Details
    ISSN: 0886-9383
    Keywords: Molecular descriptors ; Principal component analysis ; Chemometrics ; Pattern recognition ; Total surface area ; PCDD PCDF ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: New theoretical molecular indices are defined. They contain information about the whole molecular structure in terms of size, shape, symmetry and atom distribution. These indices are calcualted from the (x, y, z) co-ordinates of a molecule within different weighting schemes in a straightforward manner and represent a very general approach to describe molecules, molecular fragments, macromolecules and molecular conformations in a unitary conceptual framework. Their interpretability is quite evident and is defined by the same mathematical properties as the algorithm used for their calculation. Examples on the total surface area, toxicity of PCDD and PCDF and reaction rate of catalysed reactions show a high modelling power of these indices.
    Additional Material: 4 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080405
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  • 45
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    Electronic Resource
    Neural networks for chemists. An introduction, Jure Zupan and Johann Gasteiger, VCH, Weinheim, 1993, ISBN 3-527-28603-9 (soft cover), 3-527-28592-X (hard cover), 305 pp., £28 (soft), £57 (hard) (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 297-298 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080410
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  • 46
    Electronic Resource
    Electronic Resource
    On the use of conditional maximization in chemometrics (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 365-370 
    Details
    ISSN: 0886-9383
    Keywords: Censored data ; ECM and EM algorithms ; Incomplete data ; Maximum likehhood ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The purpose of this short communication is to illustrate the use of conditional maximization (CM) in chemometric applications. The CM algorithm is useful in reducing the computational complexity when a high-dimensional and complicated maximization problem arises from fitting chemometric models. It can also be efficiently combined with the expectation-maximization (EM) algorithm for handling incomplete data, a problem that sometimes arises when only a part of the intended data can be collected. Three models from fluorescence spectroscopy are used for illustration.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080506
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  • 47
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080601
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  • 48
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    Electronic Resource
    Adaptive, global, extended Kalman filters for training feedforward neural networks (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 391-407 
    Details
    ISSN: 0886-9383
    Keywords: Neural networks ; Non-linear multivariate regression ; Pattern classification ; Kalman filter ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Finding methods for the optimization of weights in feedforward neural networks has become an ongoing developmental process in connectionist research. The current focus on finding new methods for the optimization of weights is mostly the result of the slow and unreliable convergence properties of the gradient descent optimization used in the original back-propagation algorithm. More accurate and computationally expensive second-order gradient methods have displaced earlier first-order gradient optimization of the network connection weights. The global, extended Kalman filter is among the most accurate and computationally expensive of these second-order weight optimization methods. The iterative, second-order nature of the filter results in a large number of calculations for each sweep of the training set. This can increase the training time dramatically when training is conducted with data sets that contain large numbers of training patterns. In this paper an adaptive variant of the global, extended Kalman filter that exhibits substantially improved convergence properties is presented and discussed. The adaptive mechanism permits more rapid convergence of network training by identifying data that contain redundant information and avoiding calculations based on this redundant information.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080605
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  • 49
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    Electronic Resource
    Mathematical analysis of spectral orthogonality, John H. Kalivas and Patrick M. Lang, Marcel Dekker, New York, 1993, ISBN 0-8247-9155-X, 344 pp., $145.00 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 445-446 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080609
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  • 50
    Electronic Resource
    Electronic Resource
    Statistical thinking and technique for QSAR and related studies. Part II: Specific methods (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 1-20 
    Details
    ISSN: 0886-9383
    Keywords: Discriminant analysis ; Least squares ; Prediction ; Regression ; Relationship ; Structure ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Twenty-two contrasting statistical methods are reviewed for their applicability to QSAR studies and similar prediction-oriented fields. Each method is concisely specified prior to explanatory or critical comment.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080103
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  • 51
    Electronic Resource
    Electronic Resource
    Diary (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080102
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  • 52
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    Electronic Resource
    Error analysis of the generalized rank annihilation method (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 45-63 
    Details
    ISSN: 0886-9383
    Keywords: GRAM ; GSVD ; Propagation of errorS ; Correlated noise ; Uncorrelated noise ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effects of correlated and uncorrelated random errors on the precision of predicted quantitative and qualitative information obtained by analysis with the generalized rank annihilation method (GRAM) are shown. These are discussed in terms of propagation of errors through the algorithm. The effects of colinearity, noise level and noise distribution are compared and discussed.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080106
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    Electronic Resource
    TRIC, The First Conference on Three-way Methods in Chemistry, Epe, Netherlands, 227-25 August, 1993 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 97-98 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080110
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  • 54
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    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080201
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  • 55
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    Electronic Resource
    The Taguchi influence on designed experiments (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 103-110 
    Details
    ISSN: 0886-9383
    Keywords: Taguchi ; Robust design ; Design of experiments ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper is intended to convey the essence of Taguchi's design approach to chemists and others with an interest in chemometrics. Although most Taguchi-style applications worldwide have been in electronics and in elaborately transformed manufactures, examples are increasingly found in chemical processes and in the food industry.Foremost among Taguchi's contributions is the concept of designing processes and products to be robust to the uncontrollable environmental influences which they experience during their operation or lifetime. This concept is explained with a worked example.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080203
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  • 56
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    Electronic Resource
    Compression of nth-order data arrays by B-splines. Part 2: Application to second-order FT-IR spectra (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 127-145 
    Details
    ISSN: 0886-9383
    Keywords: Compression ; Multivariate analysis ; B-splines ; FT-IR spectra ; Second-order ; Two-dimensional ; Hyphenated methods ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In order to improve the storage and CPU time in the numerical analysis of large two-dimensional (hyphenated, second-order) infrared spectra, a data-preprocessing technique (compression) is presented which is based on B-splines. B-splines have been chosen as the compression method since they are wellsuited to model smooth curves. There are two primary goals of compression: a reduction of file size and a reduction of computation when analyzing the compressed representation. The compressed representation of the spectra is used as a substitute for the original representation. For the particular example used here, approximately 0.16 bit per data element was required for the compressed representation in contrast with 16 bits per data element in the uncompressed representation. The compressed representation was further analysed using principal component analysis and compared with a similar analysis on the original data set. The results shows that the principal compotent model of the compressed representation is directly comparable with the principal component model of the original data.
    Additional Material: 17 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080205
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  • 57
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    Comments on the DATa ANalysis (DATAN) algorithm and rank annihilation factor analysis for the analysis of correlated spectral data (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 287-292 
    Details
    ISSN: 0886-9383
    Keywords: Rank annihilation ; Principal components ; Procrustes rotation ; Multivariate analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown that the DATa ANalysis (DATAN) algorithm can be expressed in terms of rank annihilation factor analysis (RAFA). Subsequent advances in RAFA are applied to DATAN to eliminate the problems and restrictions associated with DATAN. The extension of DATAN in terms of the trilinear decomposition algorithm is discussed.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080407
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    Statistical methods in analytical chemistry, Peter C. Meier and Richard E. Zünd, Wiley, New York, 1993, ISBN 0-471-58454-1, 321 pp. (disk included), £49.50 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 295-296 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080409
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    Measurement, regression and calibration, Philip Brown, Oxford Statistical Science Series. Vol. 12, Oxford Science Publications, Oxford, 1993, No of pages: 224. Price: £27.50. ISBN 0 19-852245-2 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 371-372 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080507
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  • 60
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    Editorial (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 375-376 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080603
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  • 61
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    Kernel-based PLS regression; Cross-validation and applications to spectral data (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 377-389 
    Details
    ISSN: 0886-9383
    Keywords: Kernel PLS regression ; Cross-validation ; Model dimensionality ; Multivariate image regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Multivariate images are very large data structures and any type of regression for their analysis is very computer-intensive. Kernel-based partial least squares (PLS) regression, presented in an earlier paper, makes the calculation phase more rapid and less demanding in computer memory. The present paper is a direct continuation of the first paper. In this study the kernel PLS algorithm is extended to include cross-validation for determination of the optimal model dimensionality. To show the applicability of the kernel algorithm, two examples from multivariate image analysis are used. The first example is an image from an airborne scanner of size 9 × 512 × 512. It consists of nine images which are regressed against a constructed dependent image to test the accuracy of the kernel algorithm when used on large data structures. The second example is a satellite image of size 7 × 512 × 512. Several different regression models are presented together with a comparison of their predictive capabilities. The regression models are also used as examples for showing the use of cross-validation.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080604
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  • 62
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    Use of double windowing, variable selection, variable ranking and resolvability indices in window factor analysis (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 423-437 
    Details
    ISSN: 0886-9383
    Keywords: Resolvability ; Evolutionary factor analysis ; Variable selection ; Window factor analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for selecting variables in the non-sequential direction of a two-way data matrix (e.g. wavelength in diode array HPLC) is described. Composition 1 and 2 resolvability indices are calculated according to the size of eigenvalues of uncentred data matrices as a window is moved along the sequential direction. A double-window technique is then performed where resolvability indices are calculated as a window is moved along the non-sequential direction. Some regions have higher resolvability indices and hence are more useful for resolution. Variables are ranked according to resolvability. Two simulations are analysed and it is shown that it is possible to obtain good resolution on a small subset of the original variables.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080607
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  • 63
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    Calls for papers (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 375-375 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070508
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  • 64
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    Erratum (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. ii 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070602
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  • 65
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    Symbolic approach to inverse problems in method of moments (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 399-405 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Symbolic computational systems introduce some unique features in computational engineering. There have been several papers published on the solution of differential equations under given boundary conditions by symbolic systems. The finite element formalism has received prime attention in the course of development of symbolic computation in engineering. The main idea has been to develop a symbolic FEM package to reduce the burden of manual algebra, eliminate errors introduced by numerical quadrature, and improve the efficiency of element generation.This work discusses a symbolic solution to electromagnetic linear antenna problems. The solution is a method of moments that transforms Pocklington's integral equation to a matrix equation. The symbolic system is used to produce (1) analytical integration, (2) the parametric expression for the input impedance and (3) computational code for forward and reverse problem of the input impedance.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070604
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  • 66
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    A Laplace domain finite element method (LDFEM) applied to diffusion and propagation problems in electrical engineering (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 419-432 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: This paper presents a new finite element formulation in the Laplace domain for both diffusion and wave equations with applications in the field of electrical engineering. With the aid of congruence transformation of matrices, the finite element equations in the Laplace domain are solved and time-domain results can be obtained through the inverse Laplace transform. In a test problem, good agreement between the numerical results derived with the present method and the analytical solutions has been found. For applications in which only Dirichlet and Neumann boundary conditions are involved, this new finite element approach can be applied and provide both frequency-domain and time-domain results in one run without any timestepping scheme. The limitations of using the congruence transformation in solving propagation problems are also addressed in this paper.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070606
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  • 67
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    Numerical analysis of discontinuities in a rectangular waveguide loaded with isotropic or anisotropic obstacles by means of the coupled-mode method and the mode-matching method (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 433-452 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: A hybrid method obtained as a combination of the coupled-mode method (CMM) and the mode-matching method (MMM) is developed and applied in the analysis of multiple dielectric and magnetic discontinuities in rectangular waveguides. As both are moment methods, some kind of truncation has to be carried out in the computer implementation. It is shown that selection of a different number of modes in the two methods is not necessary, unless low-permittivity meida inside the waveguide are considered. As a consequence, the procedure for slecting the number of basis functions is only done in one of the methods. Numerical examples are presented showing the behaviour of the method and the proofs of convergence. Examples are included illustrating the power of this hybrid technique, especially in relation to non-reciprocal structures containing magnetized ferrites.
    Additional Material: 14 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070607
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    Numerical simulation of two-valley semiconductor device model based on an ENO shock capturing algorithm (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 239-252 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Simulation results for a n+-n-n+ two-valley semiconductor device obtained by use of a shock capturing numerical agorithm are presented. The one-dimensional problem is modelled by two systems of Euler equations connected by their source terms, and the Poisson equation. The resulting system of seven equations is hyperbolic and non-linear, and it is a great problem to find an adequate numerical approximation of its time-dependent discontinuities. There are additional complications due to the stiffness of the source terms.The numerical method used in this paper is first-order acurate in time but of high spatial order in regions of smoothness. Before the method is applied, the system has to be transformed to a characteristic form. The adopted shock capturing algorithm enables the choice of the order of the accuracy by the appropriate choice of the reconstruction polynomial. Reconstructions of the second and fourth order are tested and some numerical results are presented. Because of the stiffness of the source terms, the sixth-order accurate scheme breaks down. The results presented, and especially the response obtained of the structure to the step and periodic applied voltage, prove the correctness of the used schemes.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070403
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  • 69
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    On the responses of strip-line interconnects with discontinuities excited by external fields (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 283-304 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: An algorithm is developed to evaluate the responses of discontinuous coplanar strip-lines excited by external electromagnetic fields. The algorithm uses the cascade chain matrix method which employs the distributed circuit parameters to model the external field coupling to the line and it is applicable to most commonly encountered discontinuities in microwave integrated circuit interconnects on lossy substrates. A general CAD program is developed based on this model and it is applied to realistic coplanar strip-line interconnections with geometric and resistive discontinuities to illustrate the capabilities of the algorithm. These interconnect models are selected from a practical microwave integrated circuit design. Simplicity and fast speed of the algorithm enable computer-aided analysis of externally induced electromagnetic noise in integrated circuits to be carried out. The effects of dielectric losses in the integrated circuit substrates and the discontinuities in the conducting tracks on the wave coupling are investigated in isolation.
    Additional Material: 16 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070406
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  • 70
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    Parallel computation of 3-D electromagnetic scattering using finite elements (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 329-342 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: The finite element method (FEM) with local absorbing boundary conditions has been recently applied to compute electromagnetic scattering from large 3-D geometries. In this paper, we present details pertaining to code implementation and optimization. Various types of sparse matrix storage schemes are discussed and their performance is examined in terms of vectorization and net storage requirements. The system of linear equations is solved using a preconditioned biconjugate gradient (BCG) algorithm and a fairly detailed study of existing point and block preconditioners (diagonal and incomplete LU) is carried out. A modified ILU preconditioning scheme is also introducted which works better than the traditional version for our matrix systems. The parallelization of the iterative sparse solver and the matrix generation/assembly as implemented on the KSR1 multiprocessor is described and the interprocessor communication patterns are analysed in detail. Near-linear speed-up is obtained for both the iterative solver and the matrix generation/assembly phases. Results are presented for a problem having 224,476 unknowns and validated by comparison with measured data.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070504
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  • 71
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    Comments on, ‘numerical analysis of waveguide apertures radiating into lossy media’ (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 371-372 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070507
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  • 72
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    A variational approach to boundary elements - two-dimensional Laplace problem (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 1-14 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Variational boundary element formulations are developed. Two functionals based on the dual and complementary energy approach are considered, which provide the upper and lower bound of the solution. Calculated examples of electrostatic fields are demonstrated for their field distributions and capacitances. Validity and the solution accuracy are discussed in comparison with the conventional boundary element solution.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070102
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    New technique for finite difference analysis of optical waveguide problems (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 25-33 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: The method of effective penetration depth is used to produce a novel scalar or polarized finite difference approach for the solution of optical rib waveguide field problems. The new method is quicker than previous finite difference approaches and requires less computer memory. Propagation constant values are presented for a range of semiconductor rib waveguides and are found to be indistinguishable from benchmark results produced using earlier methods of analysis. A simple polarization correction formula recently derived is confirmed by utilizing the good accuracy of these results. This enables discussion of the relationship between quasi-TE, quasi-TM and scalar modes, and a further substantial reduction of the cpu time.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070104
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    T-versus ABCD-matrix in circuit analysis (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 321-328 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: The paper describes and compares the wave-chain and transmission matrix approaches to the calculation of transfer-function coefficients for ladder circuits (semi-symbolic analysis). It is found that the wave-chain matrix approach can be computationally more efficient.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070503
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    Finite element method solutions of field distributions in large cavities (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 343-355 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: To make possible the application of the three-dimensional finite element method to electrically large problems, it is combined with the analytical solutions of arbitrary large cavity with aperture. In this paper, detailed analysis for this hybrid method is presented. The element matrices necessary for coupling the finite element method to analytical solutions are given. The proposed hybrid method significantly reduces the number of unknown since only the inhomogeneity needs to be discretized. Thus computer memory and storage demands are reduced. In addition. This hybrid method employs the edge element which is not expected to produce spurious solutions. Also, the formulation presented in this paper preserves the sparsity of the finite element matrix, and does not require any matrix inversion. This new hybrid method is used to compute the field distributions in various partially filled rectangular enclosure. The results match well with the pure edgebased finite element method and analytical solutions.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070505
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    Masthead (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994) 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070601
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    Calculation of scattering parameters by orthogonal expansion and finite integration method (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 377-398 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Field computations by mathematical and numerical methods are presented in the time and frequency domain. The techniques used are discretization and modal expansion. The effects of modelling and frequency range on the accuracy and calculation requirements are investigated and discussed. By way of application, several results of RF-filter designs are presented, where these methods have been implemented in CAD programs.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070603
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    Call for papers (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 453-453 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070608
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    Adnan Saleh (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. i 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070108
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  • 80
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    Editorial (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 75-75 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070202
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  • 81
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    Characteristics of the general rectangular 2D-TLM network (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 127-139 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: In this paper the traditional square mesh 2D-TLM algorithm is generalized for rectangular meshes of arbitrary aspect ratio. It is shown that the anisotropic rectangular TLM network can be conceived in such a way that the propagation vector remains independent of the direction of propagation in the infinitesimal approximation. A full dispersion analysis of the rectangular mesh in then performed for the general case, and results are compared to that of the traditional square mesh.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/jnm.1660070206
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  • 82
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    Integral equation formulation of radiation from rectangular waveguides and horns (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 155-166 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: The radiation field patterns of rectangular waveguides and horns of finite dimensions are obtained numerically. The electric field integral equation is formulated to relate their radiation patterns to the surface current distribution. These currents are determined numerically by reducing the integral equation to a matrix equation, using the moment method. The computed currents are then used to calculate the radiation patterns and cross-polar fields of the finite wavegiudes and horns. The method is numerically efficient and can be applied to the computation and optimization of the antenna feed configurations.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070303
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  • 83
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    Numerical modelling of viscous flow in silicon thermal oxidation with the boundary element method (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 15-24 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: This paper describes the application of the boundary element method to solving two-dimensional steady slow viscous flow problems (creeping flow) in thermal silicon oxidation. The proposed method used the velocity-pressure formulation. The use of the incompressibility condition as a boundary condition and the application of the second Green's identity to transform the domain integral into a boundary integral result in a system of three boundary integral equations for velocity components and pressure. Solution of this system to be an ill-posed problem because of the presence of boundary conditions of the first kind. Two methods of regularization are employed. The numerical results for trench oxidation process are presented.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070103
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  • 84
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    Masthead (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994) 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070201
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  • 85
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    Numerical modelling of the stationary Maxwell-Lorentz system in technical devices (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 43-67 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: The particle-in-cell method is coupled with boundary-fitted co-ordinates in order to model the stationary Maxwell-Lorentz problem in technical devices. New numerical algorithms describing the transition between the grid model and the mesh-free model are developed and the existing techniques of finite difference schemes for equidistant grids are extended to non-equidistant, arbitrarily shaped, convex four-point meshes. The modelling process is described, and both the numerical approximation and the algorithms are discussed. Applications in different technical devices show the flexibility of the method.
    Additional Material: 16 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070106
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  • 86
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    Function expansion algorithms for the time-domain alalysis of shielded structures supporting electromagnetic waves (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 77-84 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Series function expansion algorithms of the time-domain analysis of boundary value problems are discussed. Electromagnetic fields inside a structure under investigation are expanded into series of basis functions and the expansion coefficients are found by means of the Galerkin method. The numerical cost of algorithms is discussed and a cost efficient approach is proposed for formulations using sine and cosine expansion functions. Compared with conventional time-domain methods the algorithms described show the time evolution of the expansion coefficients rather than the samples of a physical continuum at discrete nodes.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070203
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  • 87
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    The parallel computation of solutions to electrostatic problems using multigrid techniques (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 69-74 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: The application of multigrid techniques to the computation of the static solutions of electromagnetic field problems governed by Laplace's equation is described. This technique is compared with the conventional successive over-relaxation (SOR) method for solving finite difference problems. In contrast to SOR, the number of iterations of multigrid needed to achieve convergence is largely independent of the grid size. It is shown that the relative performance of multigrid is excellent on large grids where the number of iterations of SOR needed to achieve convergence becomes prohibitively large. The technique is illustrated by applying a parallel implementation of multigrid to find a quasistatic solution of a boxed microstrip problem.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070107
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  • 88
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    Solving eigenvalue and steady-state problems using time-domain models (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 85-97 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: A new approach to efficiently compute the low-frequency eigenmodes of a time-domain model approximating a linear physical system is proposed. The method is based on principles known from digital signal processing, in particular from parametic spectrum estimation, so it is not surprising that the achievable accuracy is much higher than the accuracy of the usual non-parametric discrete Fourier transform approach. The algorithm works in the general lossy case even for a very large number of unknowns and can easily be extended to calculate steady-state solutions under sinusoidal excitations for several different frequencies simultaneously.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070204
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  • 89
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    3-D edge element analysis of dielectric loaded resonant cavities (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 35-41 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: The eigenmodes in electromagnetic cavities, loaded with arbitrarily shaped dielectric materials, are computed by the edge element method. The computation shows that the well known ‘spurious modes’ no longer appear. Formulae are given and verified so that the number of zero eigenvalues, which come from ∇ × H = 0, may be accurately predicted. Formulae for the order and density of the global matrices are given for a rectangular cavity regularly divided into bricks and tetrahedra, allowing an associated comparison between the contrasting edge and nodal element formulations. Comparison of the computed results with available theoretical and previously published data show the edge element approach to be a robust, accurate and effective method.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070105
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  • 90
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    Electronic Resource
    Recent developments in numerical integration of differential equations (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 99-125 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: In this paper we demonstrate the use of differential equations by means of an example from network analysis and show that differential/algebraic equations (DAE), rather than explicit ordinary differential equations (ODE), are more suitable for the description of electrical systems and networks. The main ideas of numerical integration of ODEs are presented. We consider this material from the point of view of replacing the ODE by a difference equation (DE). In particular, the relationship between the ODE and the associated DE is discussed. In the last Section the application of integration methods for OEDs upon DAEs and its difficulties are discussed. The paper is intended as a review; but a few new results are also included.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070205
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  • 91
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    Masthead (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994) 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070301
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  • 92
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    Two-dimensional FDTD and TLM (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 141-153 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Applying the method of moments to Maxwell's equations, Yee's two-dimensional FDTD scheme with central difference approximations and the two-dimensional TLM method are dervied from first principles of field theory. By comparing the eigenvalues of the two methods, the differences between two-dimensional FDTD and TLM are illustrated.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070207
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  • 93
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    Finite deffernce time-domain approximation of Maxwell's equations with non-orthogonal condensed TLM mesh (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 179-188 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: A convex hexahedral TLM mesh of arbitrary shape is presented and the transmission-line matrix method extended to any non-orthogonal configuration. The novel mesh constitutes a natural generalization of Johns' condensed node. The associated TLM process is analysed and reconstructed as a genuine finite difference time-domain algorithm. Nodal S-parameters are derived from discretized Maxwell's equations and canonical stability criteria yield the TLM timestep. Unitarity is discussed and energy conservation confirmed in the non-conductive case.A given block-diagonal representation of the S-matrix restrains processing time per node and iteration within the range of traditional methods. The shortcomings of the rigid classical grid, as the need for inaccurate staircasing approximations, are, however, ruled out.Our analysis takes advantage of the recently developed propagator integral approach.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070305
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  • 94
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    TLM treatments of changes of phase (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 201-207 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: The existing treatment of an instantaneous endothermic change of state is extended to deal both with exothermic effects and with first order Arrhenius changes. These extended treatments are used to model complex changes of phase occurring during the firing of ball clay and china clay, both of which are constitutents of the slip used in the production of vitreous china ware. The adequacy of the treatments is investigated for both clays by comparing a TLM simulation of a DSC (differential scanning calorimetry) experiment with measurements made during the experiment.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070307
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  • 95
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    Transverse tranśmission theory for multilayer planar microwave circuits (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 225-238 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Transverse transmission concepts in the Fourier transmission domain for multilayer planar transmission medium are presented. This complete transverse transmission theory (TTT) is found to be a superset of different Fourier-transform-based numerical techniques widely used in guided wave analysis, namely the modematching method and the spectral-domain approach. The features of the theory are: the expansion of field quantities in longitudinal section (LSE/LSM) modes, the concept of rotation of the transverse field vectors, and a comprehnsive algorithm using recursive matrix standard form. It is shown that the mode-matching method and spectral-domain approach are generally equivalent except for the last step of imposing the final boundary conditions, and can therefore be summarized in a unified theory within the framework of TTT. In addition, a new parameter, the polarization coefficient, has been introduced to describe the field polarization of the guided wave in a quantitative manner. It is believed that the present theory will help us to gain more insight into hybrid mode propagation in multilayer planar circuits.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070402
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  • 96
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    Numerical drift-diffusion simulation of Auger hot electron transport in Ingaasp/Inp double heterojunction laser diodes (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 267-281 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: This paper considers the adaptation of drift-diffusion device simulation methodology to study Auger-recombination-induced hot electron transport characteristics in InGaAsP/InP double heterostructure laser diodes. In order to model the transport behaviour of the Auger hot electrons, we decompose the conventional electron current continuity equation into two components, with one for the Auger hot electrons and the other for the low-energy electrons. These equations, which use the energy relaxation time parameter to model the dynamics of the Auger hot electrons, are then coupled with the hole current continuity equation and the Poisson equation to obtain self-consistent solutions. Results from the case studies of one-dimensional N-p-P InGaAsP/InP double heterojunction laser diodes with material composition corresponding to 1·3 μm and 1·55 μm wavelength emissions are presented. We have observed that hot electrons generated through Auger recombination inside the active region can spread into both the N- and the P-InP cladding layers. Within the drift-diffusion framework, it is demonstrated that the hot electron concentration in the N-InP cladding layer can be five orders of magnitude higher than that in the P-InP cladding layer. Because energy transport of the hot electrons in not modelled under the drift-diffusion approximation, the simulated results are discussed to highlight some of the possible limitations in using drift-diffusion physics to study Auger hot electron transport behaviour. The importance of taking energy transport into account is emphasized.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070405
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  • 97
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    Announcement (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 307-307 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070407
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  • 98
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    Electronic Resource
    The modelling and the electromagnetic scattering from bifurcated open-ended cavities (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 167-177 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Ray-besed methods have been previously developed for accurately predicting the electromagnetic scattering from cavity interiors that allowed for realistic modelling of complex cavities such as jet engine inlets. An analytic geometric model is developed for bifurcated cavities based on connecting sections of generalized super-ellipse functions. The electromagnetic scattering from such cavities using the ‘shooting and bouncing rays’ (SBR) method is discussed.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070304
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  • 99
    Electronic Resource
    Electronic Resource
    FDTD analysis of crosstalk in multilayer printed circuits (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 209-221 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: A theoretical analysis has been developed to study the crosstalk in crossed bundles of parallel lines. The model is based on the theory of the coupled transmission lines and the resulting system of differential equations has been solved by means of the finite difference, time-domain (FDTD) method. The frequency response of the network has been achieved by the discrete fourier transform (DFT) algorithm; measurements, performed with a vectorial network analyser, show a good agreement with numerical simulation.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070308
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  • 100
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    Electronic Resource
    Harmonic balance method applied to the numerical electrical physical modelling of two-terminal, non-linear microwave circuits in the frequency domain (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 7 (1994), S. 253-265 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: A numerical frequence-domain modelling of two-terminal, non-linear microwave circuits is presented. It basically relies on a process allowing the solution of the frequency-domain curcuit harmonic balance equations while accounting for the semiconductor device by means of an accurate numerical macroscopic physical model. In its present state of development, the model allows the study of a single two-terminal device circuit operating in harmonic mode. Its capabilites are illustrated by means of the results of a study devoted to the optimization of the load curcuit configuration of a millimetre-wave avalanche diode frequency multiplier. The influence of the output load impedance level on the circuit output RF performance has been investigated for different input power levels in direct frequency multiplication mode and in the presence of additional circuit tunings at low harmonic rank idler frequencies.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660070404
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