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  • 1
    Electronic Resource
    Electronic Resource
    Background elimination in three-dimensional spectroscopy using the intensian method (1995)
    Springer
    Journal of mathematical chemistry 17 (1995), S. 111-121 
    Details
    ISSN: 1572-8897
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mathematics
    Notes: Abstract The method to eliminate background in the case of quantitative multidimensional spectroscopy, chromatography or any analytical 3-dimensional technique is shown. The 3-dimensional signal is required to be proportional to the concentration of determined substance and the additivity of signals should be obeyed. Eliminated background is assumed to be a low-order polynomial of two variables. The intensian method [1] is a generalization of the Beer-Lambert law, where a certain determinant called intensian replaces absorption and absorptivity. In practice there will be no need to use determinants, since usually they are replaced by expressions of few terms. Some details on the practical use of the method are given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01165139
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  • 2
    Electronic Resource
    Electronic Resource
    Optimal molecular connectivity descriptors for nitrogen-containing molecules (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 70 (1998), S. 1209-1215 
    Details
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We report on optimal molecular connectivity descriptors for nitrogen atoms in amines for use in structure-property correlations. The descriptors represent generalized molecular connectivity indices with adjusted diagonal entries in the adjacency matrices of the corresponding molecular graphs, such that the standard error in a regression for boiling points in a set of amines is minimized. Advantages of the so-optimized descriptors for multivariate regression analysis in structure-property-activity studies are discussed.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 1209-1215, 1998
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
  • 3
    Electronic Resource
    Electronic Resource
    Studies on curing urethane prepolymers with aniline-formaldehyde resins (1992)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 44 (1992), S. 1349-1353 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Commercial aniline-cresol-formaldehyde resin, two model aniline-formaldehyde and aniline-cresol-formaldehyde resins, and methylenedianiline have been used as curatives for NCO-terminated urethane prepolymer prepared from polyoxypropylenediol and toluene-diisocyanate. Based on viscoelastic behavior of the investigated systems and changes in their IR spectra, it has been concluded that phenolic OH groups present in aniline-cresol-formaldehyde resin do not play an important role in the curing process carried out at RT despite earlier suggestions to the contrary. The explanation for specific behavior of systems where urethane prepolymers have been cured with commercial aniline-cresol-formaldehyde resin is presumably the presence of small amount of solvent (benzyl alcohol) in that resin, which may influence the reaction kinetics.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1992.070440805
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  • 4
    Electronic Resource
    Electronic Resource
    C60 carbyne knots (from 01 to 63): Theoretical NMR spectra (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 70 (1998), S. 1009-1015 
    Details
    ISSN: 0020-7608
    Keywords: ab initio ; carbon allotrope ; carbyne ; 13C-NMR ; topological isomerism ; knot ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The structure, stability, and theoretical 13C- NMR spectra of nonlinear C60 carbon clusters of the carbyne type have been estimated by ab initio calculations. Semiempirical AM1 calculations have shown the knot-cycle energy difference to increase with the number of knot crossings and to decrease with the number of atoms constituting the molecule. Some C60 carbyne prime knots belong to the following symmetry point groups: D30h for cycle, D3 for trefoil, C1 for figure eight (but S4 for the C64 figure eight), C2 for cinquefoil and the other five-crossing knot, and C1 for six crossing knots. Knot symmetry and the calculated 13C-NMR qualitative spectra provide the basis for experimental identification of the knotted carbyne structures.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 1009-1015, 1998
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
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