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  • 1975-1979  (862)
  • 1977  (862)
  • Analytical Chemistry and Spectroscopy  (628)
  • Engineering General  (234)
  • 1
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 85-98 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Triangular and prismatic quadratic isoparametric elements, formed by collapsing one side and placing the mid-side node near the crack tip at the quarter point, are shown to embody the (1/√r) singularity of elastic fracture mechanics and the (1/r) singularity of perfect plasticity. The procedure of performing the fracture analysis for the case of small scale yielding is discussed, and the finite element results are compared with theoretical results.The proposed elements have wide application in the fracture analysis of structures where ductile fracture is investigated. They permit a determination of the relationship between crack tip field parameters, loading, and geometry. And for a given fracture criterion can be applied to the prediction of fracture in structures such as pressure vessels under in service conditions.
    Additional Material: 8 Ill.
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 99-106 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A complex quadratic eigenvalue problem of order n (n = 20, 30, 40,…) encountered in an investigation of pipe flow was reduced to that of computing the eigenvalues of either a real or a complex matrix of order 2n, depending on the linearization technique used. To get satisfactory results using the CDC 6000 series computer, double-precision versions of certain widely used and highly regarded eigenvalue subroutines were required. Although the modified subroutines used for the real matrix computations required less core than those used for the complex matrix, the calculation time was not significantly faster than that for the complex matrix. The use of ‘balancing’ subroutines merits further investigation.
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  • 3
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 107-114 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Rational corrective functions are often supplemented to complete polynomials in order to create conforming triangular finite elements for plate bending. Although such elements containing complete polynomials of degree 3 or 4 have long been known, conforming triangular elements for plate bending, which contain complete polynomials of arbitrary degree p ≤ 5 and new corrective rational functions, have been given only recently.Integration of rational functions usually requires numerical quadrature. It is shown here that these new corrective rational functions fall into two classes. For those in one class, explicit closed form integration formulas are available. For those in the other class, integration can be performed very efficiently by summing series whose general term is O(kd) for large k, where d ≤ 5. These formulas also apply to the older third and fourth order elements.
    Additional Material: 3 Ill.
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  • 4
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 131-143 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Additional Material: 13 Ill.
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  • 5
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 115-130 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The investigation of the convergence properties of matrix iterative processes usually involves test matrices of high order. This fact may prohibit an analytic approach to the problem. In this paper a method is presented which converts the multidimensional test procedure into a scalar one. The method is presented in conjunction with the problem of matrix orthogonalization which exists in Strapdown Inertial Navigation. Three examples are presented in which the convergence of matrix orthogonalization techniques is investigated. The examples demonstrate the use of the unidimensional convergence test in determining the order of the processes and in finding sufficient conditions for convergence. Numerical results are presented.
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  • 6
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 231-246 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Based on a generalized complementary energy principle the derivation of the element matrices is presented for calculation of natural frequencies. The degrees-of-freedom are not defined on nodal points but in an abstract way. No restrictions about the number of interpolation functions in the interior and at the boundaries of the element have been introduced. The exact solution of the discretized element equations leads to the dynamic stiffness matrix while the approximate solution results in a linear eigenvalue problem. Plate bending problems are used to study the convergence of frequencies depending on the degrees of interpolation functions within the element and on its boundaries and on the number of elements.
    Additional Material: 6 Ill.
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  • 7
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 269-287 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Finite element formulations based on the Galerkin and variational principles have been developed for the self-adjoint and non-self-adjoint problems represented respectively by the flow and convective-dispersion equations in the cylindrical polar system of co-ordinates. The formulation based on the variational principle is shown to be restricted to dispersion-dominant transports only. The Galerkin method is demonstrated to be more versatile and free from convergence and stability problems. The computational scheme based on the Galerkin principle is shown to be equally valid for both convection and dispersion dominant transports. The numerical results obtained are verified with known analytical solutions. It is concluded that the suggested scheme can be used in solving a variety of field problems involving groundwater dispersion.
    Additional Material: 6 Ill.
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  • 8
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 247-267 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A Block-Stodola eigensolution method is presented for large algebraic eigensystems of the form AU = λBU where A is real but non-symmetric. The steps in this method parallel those of a previous technique for the case when both A and B were real and symmetric. The essence of the technique is simultaneous iteration using a group of trial vectors instead of only one vector as is the case in the classical Stodola-Vianello iteration method. The problem is then transformed into a subspace where a direct solution of the reduced algebraic eigenvalue problem is sought. The main advantage is the significant reduction of computational effort in extracting a subset of eigenvalues and corresponding eigenvectors. Theorems from linear algebra serve to underlie the basis of the present technique. Complex eigendata that emerge during iteration can be handled without doubling the size of the problem. Higher order eigenvalue problems are reducible to first order form for which this technique is applicable. The treatment of the quadratic eigenvalue problem illustrates the details of this extension.
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  • 9
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 407-407 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 10
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 431-438 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A direct numerical method is presented for the solution of classes of non-linear, singular Volterra integral and integro-differential equations of the types where y is the unknown and the Fs and Gs are given but to a large extent arbitrary functions of their arguments. The adaptation of the method to other equations, in particular with different kernels, is immediate.
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  • 11
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 439-445 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The first order partial differential equations of charge flow are commonly differenced in the space co-ordinate, with a view to analogue computation of the resulting ordinary differential equations in time. Defects of orthodox difference formulae are identified. In particular: (a) reversed waves and stability problems arise from central differences and (b) first order errors and a ‘pseudo-viscous’ dispersion effect with accompanying false attenuation results from upwind differences. These difficulties are particularly serious in view of the coarse differencing required for practical analogue computation. A much superior formula is presented which is entirely free of attenuation and is easily implemented. Various other desirable features are reported.
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  • 12
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1137-1154 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A mathematical programming method is presented for solving problems of (i) determining the moments and rotations and (ii) determining the safety factor of reinforced concrete frames. The proposed method is essentially a reformulation of those developed by De Donato and Maier. However, the reformulation results in a new mathematical programming model for which an efficient algorithm is developed. The advantage of the proposed method is mainly computational; in fact it requires roughly one half computer time and storage space as compared with those De Donato and Maier employ to solve the same problem.
    Additional Material: 4 Ill.
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  • 13
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1175-1184 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Additional Material: 7 Ill.
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  • 14
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1185-1187 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A simple, efficient method for propagating cracks through a finite element mesh is presented: nodes, borrowed from other points in the mesh, are ‘grafted’ along the advancing crack front. The method requires neither an increase in bandwidth nor a mesh regeneration. It can be easily implemented in any existing program using iso(sub)parametric elements of at least quadratic order.
    Additional Material: 2 Ill.
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  • 15
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 598-603 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A heuristic for isolating the real roots of an equation involving a continuous function over a specified region is presented. Root isolation strategies are well known for polynomial and rational functions; however, there have been no really effective root isolation strategies for transcendental functions. For a transcendental function and a given interval, there has been no way to decide the existence of roots within the interval unless the function changed sign at the endpoints or unless evaluations were performed within the interval. This paper presents a new decision procedure using only interval endpoints. The methodology developed does not guarantee to detect real roots in an interval; however, the technique will effectively indicate real roots in a given interval unless the behaviour of the function is quite erratic.
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  • 16
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 604-604 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 17
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1235-1250 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Two direct search algorithms for the optimization of non-unimodal systems are presented. One method is interior in nature by using boundary relaxation with pseudo one-dimensional search in the feasible region; the other one is an exterior method which allows the violation of constraints followed by the use of a penalty function to drive the search back into the feasible region. These two methods are usually capable of leaving local optima to reach a better solution if such exists. The application of the proposed approaches to several non-unimodal systems shows that they are better than the existing methods. The proposed methods are also attractive because of the ease of programming and the high probability of reaching the global optimum.
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  • 18
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1251-1259 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A computer program is presented for in-core solution of a large, sparse, unsymmetric, unbanded system of linear equations. The program employs two partially packed arrays (one for storing non-zero elements, and one for column identifications). Used as the pivotal row is the row with the minimum number of non-zero elements. To avoid instability, the pivot is the largest absolute element in the pivotal row. The method was tested on a system of equations encountered in field application of the three-dimensional Galerkin finite element solution of flow and mass transport through porous media. Performance is compared with that of available alternatives.
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  • 19
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1261-1269 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The non-linear steady state response of structures with curvature is investigated through the expository example of a shallow circular arch. A consistent mass finite element formulation is employed to derive the governing non-linear differential equations.These equations are solved by assuming a single mode expansion reducing the governing equations to the single degree-of-freedom Duffing's equation with a quadratic term. The non-symmetric amplitude-frequency curve is derived and compared with results previously obtained by direct integration of the equations of motion.
    Additional Material: 5 Ill.
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  • 20
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1291-1306 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A stiffness matrix is derived for a rectangular orthotropic sandwich plate element with thick faces by the assumed stress hybrid approach.It will be demonstrated that an independent polynomial can be used for the internal forces of the sandwich plate by the membrane theory (assumption of thin faces) and also for the additional moments and shear forces of the faces.The boundary displacements are approached solutions of the homogeneous differential equation of a sandwich beam.
    Additional Material: 8 Ill.
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  • 21
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1329-1333 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Temperature load on a shell is usually represented as initial strains in the tangent plane directions of the shell, since strains in shell surface normal directions are neglected. It is shown, however, that this simplification may give rise to significant errors for thick curved shell elements. A procedure to overcome this problem is presented. In particular the eight-node subparametric thick shell element is considered.
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  • 22
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1340-1342 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An integral equation method is presented for the numerical calculation of the eigenvalues of the scalar Helmholtz equation. By using a particular solution instead of Green's function, the calculations could be simplified due to the elimination of complex numbers.
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  • 23
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1344-1344 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 24
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1405-1421 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In this paper we describe a new class of locally refined macro finite elements which are especially amenable to the use of substructuring techniques for the efficient solution of the resulting idealization. The tools and guidelines illustrated by the examples of modelling crack tips, point load singularities and singularities at re-entrant corners should enable an analyst to construct other such blended macro elements specifically tailored to his particular class of problems. The use of such substructured macro elements in finite element calculations permits substantial reduction in the manual effort of data preparation and the computational cost of numerical solution.
    Additional Material: 18 Ill.
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  • 25
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1439-1454 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A numerical scheme with a high degree of accuracy has been developed for the full Navier-Stokes equations. The method utilizes the multi-mesh points for space and time derivatives in order to improve the truncation error. Whereas the existing numerical method employing the finite difference scheme, e.g. the explicit, pure implicit, Crank-Nicolson, and DuFort-Frankel schemes, has the truncation errors of the order (Δx)2, Δx being the spatial mesh length, the one for the present method is generally of the order (Δx)3. A numerical example is shown for a natural convection flow in a square box and the results are compared with those of Cormack et al. One order of magnitude reduction of the computing time for a constant degree of accuracy was attained for the two-dimensional problems. Furthermore, a two order of magnitude reduction is to be expected when the method is applied for the three-dimensional Navier-Stokes equations.
    Additional Material: 7 Ill.
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  • 26
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 729-740 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The problem considered in this paper is the solution of the Volterra integral equation of the first kind for the input function where we are given the impulse response or kernel and discrete, noise contaminated, observed values of the output function. The present method, introduced here, is based on assuming a multipolynomial form for the input function. Using the integral equation and the least squares method, the coefficients of all the terms in these polynomials are found simultaneously, in order to avoid bias toward any subset of the data. The solution is obtained in such a way that successive polynomials are continuous in function value and derivative at the points of juncture. Thus a smoothed estimate of the input function is generated. The development of the algorithm is presented and applied to two illustrative problems. Possible improvements and extensions of the method are also discussed.
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  • 27
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977) 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 28
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 11 (1977), S. 1486-1486 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 29
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1491-1505 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The patch test is interpreted from a variational point of view. This leads to the conclusion that non-conforming (or non-stress diffusive) displacement (stress) models can be considered as special hybrid models. A simple choice of mixed connectors is proposed that satisfy a priori the patch test for any assumed displacement or stress field. Finally some numerical examples are given of finite elements that do not pass the patch test but still exhibit convergence in practical applications.
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  • 30
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1529-1543 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A simple and efficient finite element is introduced for plate bending applications. Bilinear displacement and rotation functions are employed in conjunction with selective reduced integration. Numerical examples indicate that, despite its simplicity, the element is surprisingly accurate.
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  • 31
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1579-1592 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This paper presents an unconditionally stable explicit algorithm for the direct integration of the structural dynamic equations of motion. The algorithm is restricted to a diagonal mass matrix and positive definite symmetric stiffness and damping matrices. The algorithm is based on splitting the stiffness and damping matrices into strictly lower and upper trangular form. Unconditional stability is proven, but only for the undamped case and a completely symmetric splitting of the stiffness matrix. An alternate splitting method is also presented and numerical examples indicate superior performance over the symmetric splitting, but only a conditional stability. A spring-mass-dashpot model is used to illustrate the algorithm.
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  • 32
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 797-815 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Approximations, with any arbitrary degree, of integrals on a triangle are obtained as a product (different from Stroud's conical product formulas) of one-dimensional Gauss-Jacobi formulas.
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  • 33
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 771-796 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The objective of the paper is a survey and classification of available numerical methods for boundary value problems with an emphasis on two point boundary value problems. In the paper a general two point boundary value problem is stated first and later available numerical methods are classified into five main groups according to their approach in numerical solution. In the next sections of the paper, each of these main groups are described and appropriate subgroups are defined and discussed.
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  • 34
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 817-832 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An interative approach is proposed for the numerical analysis of elastic-plastic continua. This approach gives after convergence an implicit scheme of integration of the evolution problem, and is concerned with elastic-perfectly plastic materials and with hardening standard materials. Under a generalized assumption of positive hardening, the proof of convergence of the iterative solutions is given. Some numerical examples by the finite element method are also discussed.
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  • 35
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1107-1115 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Based on the Lagrange multiplier's concept, a superposition method of analytical and finite element solutions has been developed to solve efficiently various non-linear and/or time-dependent problems in structural mechanics. According to the theory, the transient creep behaviour of a cantilever beam is analysed as an expository example.
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  • 36
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1117-1136 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Two efficient numerical methods for dealing with the stability of linear periodic systems are presented. Both methods combine the use of multivariable Floquet-Liapunov theory with an efficient numerical scheme for computing the transition matrix at the end of one period. The numerical properties of these methods are illustrated by applying them to the simple parametric excitation problem of a fixed end column. The practical value of these methods is shown by applying them to some helicopter rotor blade aeroelastic and structural dynamics problems. It is concluded that these methods are numerically efficient, general and practical for dealing with the stability of large periodic systems.
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  • 37
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1155-1174 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The convergence properties of several non-linear solution procedures were examined with respect to the accelerated flow of a fluid in a converging channel (the Hamel problem), using two different finite element computer programs with different elemental construction. The Reynolds number varied from that for creeping flow to 1088 without exceeding the radius of convergence. Special attention was given to the successive substitution and Newton-Raphson solution algorithms, with a significant advantage in rate of convergence noted for the latter.
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  • 38
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 875-881 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An elasto-plastic finite element small displacement procedure to predict the behaviour of structures under cyclic loads is presented. The solution combines incremental procedure with correction for equilibrium and iterative scheme. Applications are made for a rectangular strip and a notched bar under cyclic axial loads. Flow theory of plasticity with either isotropic hardening or kinematic linear hardening is used.
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  • 39
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 897-900 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 40
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 883-895 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The analysis of stresses and deformations in concrete structures subjected to temperature gradients is described. As a result of the spatial variation of temperature, the creep compliance is a function of position. Previous work has shown that the constitutive equations for concrete creep can be expressed in a form which is invariable although ageing is included in the analysis. Thus viscoelastic methods can be used and correspondence principles can be developed; emphasis is placed in the present work on those which are based on the Laplace transform. A particular form is described, in which replacement of the elastic modulus by a function of the transformed creep compliance gives transformed values of stress; these values are easily obtained numerically by the finite element method using elastic analyses. The transformed values of stress are then expressed as approximate functions of the transformed creep compliance; inversion of the ensuing functions gives the stress as an approximate function of time. Two applications are given; the first considers a simple axially loaded column with reinforcement and the second deals with a thick cylinder subjected to a temperature gradient.
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  • 41
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 905-907 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 42
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1225-1233 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A finite element formulation is described for problems with solution functions known to have local rλ variation (s), 0〈λ〈1, and thus singular gradients. Special 3-node triangular elements encircle the singularity and focus to share a common node at the singular point. The shape function of each triangle has the appropriate r λ mode and a smooth angular mode expressed in element natural co-ordinates. As with standard elements, the unknowns are the nodal values of the function. Even if the precise angular form of the asymptotic solution is known, the formulation makes no attempt to embed it, but instead piecewise approximates it. This allows assembly of the element coefficient matrix using standard procedures without nodeless variables and bandwidth complications.The conditions of continuity, low order solution capability, and accurate numerical integration of the singularity element are discussed with a view towards establishing the general range of applicability of the formulation. Numerical applications to the elastic fracture mechanics problems of composite bondline cracking and crack branching are discussed.
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  • 43
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1271-1290 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The wave problem is introduced and a derivation of Berkhoff's surface wave theory is outlined. Appropriate boundary conditions are described, for finite and infinite boundaries. These equations are then presented in a variational form, which is used as a basis for finite and infinite elements. The elements are used to solve a wide range of unbounded surface wave problems. Comparisons are given with other methods. It is concluded that infinite elements are a competitive method for the solution of such problems.
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  • 44
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1307-1328 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This paper describes a simple explicit and unconditionally stable numerical routine for the solution of the diffusion equation using a transmission-line modelling (TLM) method. The paper also shows that the explicit finite difference routine and the implicit Crank-Nicolson routine may be expressed as the exact solution of certain transmission-line models. Using these models a technique for comparing the accuracy and stability of numerical routines is developed and a detailed comparison of the new TLM methods and the well established methods is made.
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  • 45
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1343-1343 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 46
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1343-1343 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 47
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1334-1339 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A method is proposed for making overly stiff elements more flexible. The central idea is quite simple and is illustrated by application to a sample element, whose behaviour is greatly improved. The effort needed to soften an element is very small if its stiffness matrix is naturally produced with reference to generalized co-ordinates before a final transformation to nodal displacement degrees-of-freedom.
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  • 48
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    International Journal for Numerical Methods in Engineering 11 (1977) 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 49
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1347-1364 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Two versions are presented of a tranversely-curved finite strip for the static analysis of circular cylindrical shells. The strip is a refined displacement model with sixteen transverse degrees-of-freedom arranged either at two or at four nodal lines. The analysis is specialized for cylinders with diaphragm supports at the ends - via the employment of simple trigonometric series in the longitudinal direction - but extension to other end conditions is straightforward in principle. Detailed results of applications of the curved strip are presented.
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  • 50
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1391-1404 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new approach in the formulation of finite elements using the concepts of least squares in conjunction with collocation is developed. No numerical integration is required in the stiffness formulation and the resulting matrix has the advantage of being always symmetrical. This approach has also been applied to the finite strip method and provides a means for rapid and accurate analysis of high order partial differential equations. The accuracy and versatility of the method are demonstrated by several examples.
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  • 51
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1423-1437 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A numerical method is given for examining the effect of uniformly heating thin shells of revolution which have an initial stress state. It is assumed that the yield strength decreases with temperature so that significant plastic flow takes place. The note includes a detailed study of this annealing effect on a finite length cylinder which has been given an initial state of stress by removing a longitudinal strip from it and rejoining the edges. The spread of the plastic regions with increasing temperature is followed and it is shown that the peak stress following a heating and cooling cycle is about 10-20 per cent in excess of the yield strength of the material at the peak temperature attained.
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  • 52
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1473-1477 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: When the stiffness matrix of a beam element is transformed linearly to account for eccentricity with respect to the plate it is attached to, an incompatibility in the axial displacement field is introduced. The nature of the error so introduced is discussed.
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  • 53
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1477-1483 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: It is well-known that oscillatory result when cerntral difference of finite element approximations are suoght for convective and boundary layer flows unless the grid length is sufficiently small. A priori limits on the grid spacing, bleow which the solutions are oscullation freee, are derived form one-dimensional idenlizations of these problems and result form boundaryb layer theiry.
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  • 54
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 995-1003 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In this paper the geometric stiffness matrices of a 12 degree-of-freedom rectangular element based on a fully compatible displacement field are developed for the first time and used to solve the elastic stability problem of rectangular plates under combined in-plane forces.The rapid convergence of buckling solutions based on the derived geometric stiffness matrices is demonstrated for plates with various boundary and loading conditions. Comparison of results shows that the present conforming element gives in all cases better results than the well known 12 degree-of-freedom non-conforming rectangular element.
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  • 55
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 975-993 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Formulated in the hodograph plane, the bi-dimensional flow of a perfect fluid past a symmetric body leads to an elliptic variational inequality. By this way we show the existence of a one-parameter family of solutions. Furthermore the study gives us a simple and effective method for calculating the solutions. The results obtained with some typical profiles are given and compared with previous works.
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  • 56
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1005-1027 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Optimization techniques are applied to the design of both hydrodynamic journal and tilting pad thrust bearings. Fletcher's adaptation of Davidon's gradient search method is further modified to deal with non-linear constraints in journal bearing design. A form of the Sequential Simplex is used for tilting pad thrust bearings. Penalty functions and variable transformations are used in both cases. Composite objective functions are included and the effect of weighting on each component of the composite function is investigated.
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  • 57
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1041-1043 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 58
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1029-1039 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Four new ways to relieve the excessive bending stiffness of linear elements are described, and incorporated into plane elements. All satisfy the ‘patch test’. The new elements are compared with existing elements in test problems. Application to three-dimensional problems is proposed.
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  • 59
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1044-1048 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A finite difference approximation for the equilibrium equation of a thin, laterally loaded, elastic plate of variable stiffness is developed; it uses plate stiffnesses at node points and at points midway between the nodes of the rectangular grids. Displacement and moment results using this operator and an alternate one are compared.
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  • 60
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1053-1054 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 61
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    International Journal for Numerical Methods in Engineering 11 (1977) 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 62
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1779-1799 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The philosophy of a simple data structure for handling data for finite element analyses is described. The technique is advocated as an efficient way of handling finite element data and of communicating between programs using the data.
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  • 63
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1801-1808 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: We recognize that established techniques permit two-dimensional interpolation to be accomplished efficiently as well as accurately when the grid of points, on which the data is available, is regular. Existing methods suitable for irregular grids are computationally protracted. We show that by using Lagrange polynomials of a complex variable we can interpolate, almost as conveniently as in one dimension, from an irregular grid onto particular points lying on parallel lines. Standard one-dimensional interpolation schemes can then be used to complete the two-dimensional interpolation. We discuss how, in any particular instance, the order of the Lagrange polynomials is chosen, and we present the results of a computational test of our method.
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1893-1897 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 65
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1898-1898 
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    Keywords: Engineering ; Engineering General
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  • 66
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    International Journal for Numerical Methods in Engineering 11 (1977), S. 1898-1898 
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    Keywords: Engineering ; Engineering General
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  • 67
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    Organic Magnetic Resonance 9 (1977) 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 68
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    Organic Magnetic Resonance 9 (1977), S. 8-12 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The natural abundance 13C magnetic resonance spectra of reduced proaporphines are reported, with complete assignments based on peak multiplicity and empirical calculations of chemical shifts. The chemical shift values of C-8, C-12 and C-7 are found to be strongly diagnostic of the spiro carbon configuration.
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  • 69
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    Organic Magnetic Resonance 9 (1977), S. 16-22 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C chemical shifts of several alkyl and phenyl substituted pyrylium perchlorates, together with related pyridine and pyridinium salts, are reported. The shifts in the isoelectronic series benzene, pyridine, pyrylium cation correlate well with charge densities calculated by INDO MO theory. Charge densities also account for the shift changes found at C-3, C-4 and C-5 for protonation of pyridine and 2,4,6-trimethylpyridine. The shift changes observed on protonation for C-2 and C-6, along the series pyridine, 2,4,6-trimethylpyridine and 2,4,6-triphenylpyridine can only be rationalized by consideration of both charge density and π-bond order changes. The effects of alkyl substitution on the shifts of the pyrylium cations are not accounted for by charge density changes. Empirical correlations of these shifts with literature data for the alkylbenzenes and the shifts of the phenyl substituted 6-membered heterocycles are discussed.
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  • 70
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The n.m.r. spectra of triterpenoids related to 12-ursene have been examined using the shift reagent Eu(fod)3. The assignment of all the methyl resonances has been achieved for ursolic acid derivatives and the corresponding compounds of the 3-epi series, which have not been investigated previously. The additive shielding effects of various substituents on the methyl resonance frequencies have been deduced from the results.
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  • 71
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    Organic Magnetic Resonance 9 (1977), S. 49-52 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The carbon-13 n.m.r. spectra of some 3-substituted-2-cyclohexenones show very wide variations in chemical shift at C-3 that correlate with Pauling electronegativity χ, even wider variations at C-2 that correlate with the Taft resonance parameter σRº and almost no variation at C-1. These very different effects are shown to be consistent with the electronic distribution for these and related compounds revealed by other spectroscopic techniques. Reasons for the insensitivity of carbon-13 n.m.r. to configurational and conformational variation in simple enamino-ketones are discussed.
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  • 72
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new method of conformational analysis has been developed, in which energy minimization calculations are combined with lanthanide-induced shift data. First, exhaustive energy calculations are carried out on the free molecules in order to determine the conformations of lowest energy. Then, the coordinates of all low energy conformations or pairs of conformations are used in the pseudocontact shift equation for lanthanide-induced shifts in order to find which of the theoretically obtained conformation(s) gives the best agreement with experiment. The molecules complexed to the lanthanide shift reagent were N,N-diisopropylformamide (DIPF) and N,N-diisopropylacetamide (DIPA). Two different lanthanide shift reagents were used, Eu(fod)3Fod is the anion of 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedione-d27. and Pr(fod)3, in order to check the validity of the method. Proton magnetic resonance spectra were taken at 6 °C in carbon tetrachloride solution. The principal conformation found was different for each amide. DIPF was found to exist as a mixture of I (39 mol%) and II (61 mol%) with Eu(fod)3, and a mixture of I (37%) and II (63%) with Pr(fod)3. DIPA was found to exist as a mixture of I (79%) and IV (21%) with Eu(fod)3 and a mixture of I (87%) and IV (13%) with Pr(fod)3. For both molecules, the two conformations of lowest computed energy were also the pair which gave the best fit to the lanthanide shift reagent data. The location of the principal magnetic axis of the complex was found to lie between 0° and 14° from the lanthanide atom-oxygen atom bond axis. The technique of combining lanthanide shift reagent data with energy calculations shows great promise in conformational analysis.
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  • 73
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    Organic Magnetic Resonance 9 (1977), S. 101-104 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 31P—31P and 13C—31P coupling constants in 1,6-diphosphatriptycene have been obtained from analysis of its proton decoupled 13C n.m.r. spectra. More accurate data, however, resulted from simultaneous analysis of the proton decoupled 13C spectra and 31P(13C) satellite spectra. The 13C—31P couplings are strongly influenced by the proximity and orientation of the phosphorus lone pair electrons. The first 31P—31P coupling in an aromatic diphosphine is reported.
    Additional Material: 2 Ill.
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  • 74
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    Organic Magnetic Resonance 9 (1977) 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 75
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    Organic Magnetic Resonance 9 (1977), S. 116-117 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Aromatic solvent-induced shifts (ASIS) in 19F n.m.r. spectra of several organic fluoro compounds have been determined in several solvents. 19F n.m.r. signals of unsaturated fluoro compounds in C6F6 and C6H6 show excess high field shifts corresponding to the term σc (solvent shift caused by chemical interactions). The mechanism of this shift is discussed in connection with the presence of an F-π interaction. A thermal study also supports this idea.
    Additional Material: 2 Ill.
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  • 76
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 13C n.m.r. spectra of dimethyl 1-isopropyldibenzo[b,e]bicyclo[2.2.2]octatriene-7,8-dicarboxylate disclose the existence of both dl and meso isomers, whereas 1H n.m.r. spectra were interpreted by the sole existence of the former. Characteristic chemical shifts for the rotamers were found, among others, for carbons along the rotational axis. The non-equivalence is most probably attributed to the difference in geometry about the carbons in question. An unusual fact was also that the more compressed methyl carbon of the isopropyl group gives a signal at higher field.
    Additional Material: 2 Ill.
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  • 77
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    Organic Magnetic Resonance 9 (1977), S. 121-124 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carbon chemical shifts of cyclic dimethylene compounds were determined and interpreted. It is suggested that steric compression leads to additional shielding of the exo-methylene group, the chemical shifts of this group being a useful measure of the amount of steric hindrance.
    Additional Material: 3 Tab.
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  • 78
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: A study by 13C n.m.r. of a series of thioureas gives information about the conformational equilibrium. Hindered rotation of the tert-butyl groups is observed. Substituent effects are examined.
    Notes: Une étude par spectroscopie 13C d'une série de thiourées est réalisée. Des informations sont obtenues sur l'équilibre conformationnel. Une rotation empěchée des groupes tert-butyle est mise en évidence. Les effets de substituant sont examinés.
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  • 79
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    Organic Magnetic Resonance 9 (1977), S. 141-144 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C spectra of several conjugated diynols and symmetrical diynediols, represented by the parent compounds 2,4-pentadiyn-1-ol and 2,4-hexadiyne 1,6-diol, respectively, have been determined and individual resonances assigned. The data show close similarities to those observed with related 2-yn-1-ols. Mutual shielding interactions between the conjugated triple bonds result in upfield shifts of both the α- and β-sp-hybridized carbon nuclei by c. 4.5 ppm, relative to the ethynyl prototype. The deshielding γOHπ effect induced by the hydroxyl group at the interior sp-hybridized carbons is discussed.
    Additional Material: 3 Tab.
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  • 80
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    Organic Magnetic Resonance 9 (1977), S. 148-150 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Proton distance ratios for pyridine, benzonitrile and 4-cyanopyridine have been obtained in a potassium laurate lyotropic mesophase and compare favorably with values for different thermotropic solvents. Order matrices indicate a preference for the C2v symmetry axis of the molecules to be aligned along the optical axis of the mesophase.
    Additional Material: 5 Tab.
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  • 81
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    Organic Magnetic Resonance 9 (1977), S. 151-154 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The geminal anisochronism (Δδ) of the isopropyl methyl groups in the 1H n.m.r. spectrum of N-[2-methyl-1-(1-naphthyl)propylidene]benzylamine showed unusually pronounced temperature and solvent effects. It is noteworthy that both accidental and dynamic equivalences were encountered. Slow rotation around the naphthyl-imino bond is responsible for the diastereotopic nature of the geminal methyl groups, and possible reasons for the temperature and solvent effects are considered. Surprisingly, the temperature effect was not reflected in the 13C anisochronism of the methyl carbon nuclei. These observations underline the need for caution in drawing firm conclusions from variable temperature studies on geminal non-equivalence.
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  • 82
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    Organic Magnetic Resonance 9 (1977), S. 157-159 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Proton and deuterium n.m.r. measurements in acetylacetone and 3,3-d2-acetylacetone are reported. Deuterium-isotope effects on chemical shifts and keto-enol equilibria as a function of concentration in the two solvents triethylamine and pyrrole are determined. A strong solvent concentration dependence for d-isotope effects is observed in triethylamine; in pyrrole no dependence is obtained. The results are interpreted in terms of an equilibrium between the symmetrical (C2v) and asymmetrical (Cs) enolic forms in acetylacetone. The usefulness of 2H n.m.r. for the study of exchange processes is demonstrated.
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  • 83
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    Organic Magnetic Resonance 9 (1977), S. 164-166 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: A simple model is employed to estimate additional splittings due to higher-order effects in off-resonance proton-decoupled 13C n.m.r. spectra.
    Notes: Zusätzliche Aufspaltungen, die durch Effekte höherer Ordnung in 1H-off-resonance-entkoppelten 13C-NMR-Spektren hervorgerufen werden, können mit Hilfe eines einfachen Modells abgeschätzt werden.
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  • 84
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    Organic Magnetic Resonance 9 (1977), S. 175-176 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Some alkyl and alkenyl phenyl sulfones have been examined and the additive proton shielding increments calculated for the benzenesulfonyl group.
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  • 85
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The carbon-13 shifts of C-1, C-2 and C-3 are determined in a series of 1-cyclohexen-3-ones substituted in position 1. Linear relationships are demonstrated between the substituent chemical shifts of corresponding carbons in substituted ethylenes, butadienes, α-enones and benzenes. The substituent chemical shifts of proton H-2 are also reported and correlated with those of corresponding protons in ethylenes and benzenes. The slopes of the lines for the carbons directly linked to the substituent are close to unity, showing a relative independence of the substituent effect for this nucleus from the variation of the unsaturated framework. In contrast to this, the transmission of the substituent effect through one double bond (nuclei β to the substituents) decreases as the number of conjugated π bonds in the whole structure increases. This relationship is interpreted as being due to the ability of an unsaturated system to spread the variation of π electron density induced by the substituent.
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  • 86
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    Organic Magnetic Resonance 9 (1977), S. 185-192 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The solvent/solute interactions of four isomeric benzothienopyridines (parent compounds) have been investigated by 1H n.m.r. A close study of the second-order spectra shows: (i) a preferential orientation of the solvent molecules (acetone) surrounding the pyridine ring; (ii) large variations in the coupling constants of the benzenic part of the benzothienopyridines as a function of the solvent; (iii) a preferential interaction of the pyridine ring in collision complexes with benzene. These results can be applied to a comparative study of the complexes between DNA base pairs and intercalating derivatives.
    Notes: L'étude des interactions solvant/soluté des quatre benzothiénopyridines isomères a été entreprise par RMN 1H. Le calcul des spectres au second ordre permet de révèler: (i) dans l'acétone une orientation préférentielle des molécules de solvant au niveau du cycle pyridinique; (ii) une forte variation des couplages de la partie benzénique en fonction de la nature du solvant; (iii) une interaction préférentielle du cycle pyridinique dans les complexes de collision du benzène. Ces résultats peuvent ětre transposés aux interactions hétérocycles azotés/bases appariées de l'ADN (intercalation).
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  • 87
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    Organic Magnetic Resonance 9 (1977), S. 203-209 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 13C n.m.r. studies of a series of tricarbocyclic ring C aromatic diterpenoids using proton-noise and single-frequency off-resonance decoupling, partially relaxed Fourier transform techniques, shift reagents and specifically labelled derivatives have permitted unequivocal assignments of almost all signals. The shieldings caused by oxygenation of C-18 and C-19 and by introduction of various substituents in the aromatic ring are discussed. It is concluded that the 13C n.m.r. data are sufficiently characteristic to allow stereochemical assignments. Some effects of deuterium substitution on the carbon resonances are presented.
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  • 88
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 77Se N.m.r. spectra of 4,4′-disubstituted diphenyl selenides have been obtained. The chemical shifts could be correlated with substituent constants of the Hammett type or with Swain and Lupton two-parameter equations. No correlations were observed between these 77Se shifts and the 13C shifts of the CH2 group of 4,4′-disubstituted diphenylmethanes, the latter shifts showing no correlation with substituent constants. On the other hand linear correlation was observed between the 77Se shifts of the 4,4′-disubstituted diphenyl selenides and the 1H shifts of the CH2 group of the diphenylmethanes, the 13C shifts of their 1-carbons and the 19F shifts of 4-substituted fluorobenzenes.
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  • 89
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    Organic Magnetic Resonance 9 (1977), S. 224-228 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It has been found that LAOCOON III can fail to converge for some strongly coupled AA′BB′ spin systems unless trial coupling constants and chemical shifts within a few tenths of a Hz of the real parameters are used to initiate the iteration. This problem seemed linked to those spin systems possessing two or more pairs of energy levels which are nearly degenerate. In the cases where LAOCOON III failed, the program NMRENIT always yielded the correct, converged, iterative solution even with completely arbitrary starting parameters. The latter program also appears to accomplish a given number of iterations with an AA′BB′ system roughly three times as fast as the former program.
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  • 90
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    Organic Magnetic Resonance 9 (1977), S. 239-240 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown that a γ-methyl group causes approximately a 3 ppm upfield shift of the silicon resonance in (CH3)3Si—O—C—CH3 fragments. It is estimated that polar effects contribute about 0.8 ppm to this shift leaving a net steric γ upfield shift of 2 ppm. Variations around these average values are interpreted by different conformer populations, the importance of which are illustrated by the shifts in trimethylsiloxy derivatives of adamantane.
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  • 91
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    Organic Magnetic Resonance 9 (1977) 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 92
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    Organic Magnetic Resonance 9 (1977), S. 241-247 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 13C screening constants and their anisotropies are calculated within the CNDO/S framework by using gauge dependent atomic orbitals in the molecular orbital description. The calculations include the excited singlet states which are mixed with the ground state by an external magnetic field. Reasonable agreement with available experimental data is obtained in most cases. Comparisons with some ab initio results are also made.
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  • 93
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: All the 1H n.m.r. parameters of the following derivatives of 1,6-dimethylbicyclo[4.1.0]heptane are determined: 3,4-dimethoxycarbonyl (3 diastereoisomers), cis- and trans-3-methoxycarbonyl-2,2,5,5-d4, cis- and trans-3-methyl-3-methoxycarbonyl; the cis- and trans-1,5,5-trimethylbicyclo[4.1.0]-3-heptanols are studied in the same way. The different chemical shifts are correlated with the aid of a collection of empiral increments. The conformational equilibria are determined from the vicinal coupling constants; the conformational free energies of the COOCH3 group are evaluated; the part played by gauche interactions is considered.
    Notes: Tous les paramètres RMN sont déterminés pour les dérivés suivants du diméthyl-1,6 bicyclo[4.1.0]heptane: diméthoxycarbonyl-3,4 (3 diastéréoisomères), méthoxycarbonyl-3 (d4-2,2,5,5) cis et trans, méthyl-3 méthoxycarbonyl-3 cis et trans; les triméthyl-1,5,5 bicyclo[4.1.0]heptanols-3 cis et trans ont été également étudiés. Les divers déplacements chimiques sont corrélés grǎce à un ensemble d'incréments déterminés empiriquement. Les équilibres conformationnels sont précisés à partir des constantes de couplage vicinales; les enthalpies libres conformationnelles du groupement COOCH3 sont évaluées; le rǒle des interactions gauches est considéré.
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  • 94
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: For trans-3-R- and 5-R-1-acetoxy-4-cyanocyclohexene-6,6-d2 the molar fractions of diequatorial conformers are 0.83 (3-methyl), 0.68 (5-methyl), 0.57 (3-tert-butyl) and 0.55-0.69 (5-tert-butyl). For the last two compounds the values of the coupling constants are in agreement with the hypothesis of an ee⇄aa equilibrium. For the cis isomers, the molar fractions of equatorial alkyl conformers are 0.76 (3-methyl and 5-methyl) and 1.0 (3-tert-butyl and 5-tert-butyl). The cis-1-acetoxy-3-tert-butyl-4-methoxycarbonyl-cyclohexene presents a conformational heterogeneity. The conformational free energy of the methyl group in position 4 has been evaluated as -0.6 kcal mol-1 (2.5 kJ mol-1).
    Notes: Pour les R-3 et R-5 acétoxy-1 cyano-4 cyclohexène D2-6,6 trans, les fractions molaires des conformères diéquatoriaux ont été évaluées: 0,83 (méthyl-3), 0,68 (méthyl-5), 0,57 (t-butyl-3) et 0,55-0.69 (t-butyl-5). Pour les deux derniers composés, les valeurs des constantes de couplage sont compatibles avec l'hypothèse d'équilibres ee⇄aa. Pour les isomères cis, les conformères à groupement alkyle équatorial sont prédominants (fraction molaire 0,76 pour méthyl-3 et méthyl-5) ou exclusifs (t-butyl-3-butyl-5). Par contre, l'acétoxy-1 t-butyl-3 méthoxycarbonyl-45 cyclohexène cis présente une hétérogénéité conformationnelle. L'enthalpie libre conformationnelle du groupement méthyle en position 4 est évaluée à -0,6 kcal mol-1 (2,5 kJ mol-1).
    Additional Material: 5 Ill.
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  • 95
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The conformations of the isopropyl groups and the barriers to conformational interconversion in methyl N,N-diisopropylcarbamate, its thiol and seleno analogues have been studied by 1H d.n.m.r. In the diselenocarbamate, complete bandshape analysis of the Se-methyl proton signals proves unequivocally that the conformational interconversion takes place by rotation of one isopropyl group at a time rather than by a concerted rotation of both groups. The populations and barriers observed for the new compounds fit well into the general scheme found previously for other N,N-diisopropylamides and -thioamides.
    Additional Material: 3 Ill.
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  • 96
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    Organic Magnetic Resonance 9 (1977), S. 351-354 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Empirical correlations for the prediction of the chemical shifts of the carbon atoms in aliphatic alcohols are presented. Structural and conformational effects contributing to the 13C chemical shifts of γ-carbons are discussed.
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  • 97
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 13C n.m.r. spectra of a series of 52 substituted norbornanes, norbornenes, bicyclo[2.2.2]octanes and -octenes have been recorded to examine the stereochemical effects of closely neighboring substituents on the carbon shieldings of these well-defined molecular frameworks. These moderately rigid skeletons permit detailed examination of a variety of orientations of substituents and, in this study, attention has been focused on a series of vicinally substituted systems. The substituents include methyl, hydroxymethyl and carboxylic acid groups for comparison with earlier data for several bicyclic alcohols and hydrocarbons, from which conclusions regarding the conformational preferences of the hydroxyl group may be drawn. The deviations of the observed shieldings from those predicted by simple additivity follow definite patterns which should be useful for stereochemical assignments in related systems.
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  • 98
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    Organic Magnetic Resonance 9 (1977), S. 379-381 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 1H n.m.r. spectrum of 3-methyl-2-oxo-1,4-dioxepane was recorded at 300 and 60 MHz. The ring conformation was considered in terms of the spectral parameters and shown to be a twisted boat where the lactone grouping is approximately planar.
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  • 99
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    Organic Magnetic Resonance 9 (1977), S. iii 
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 100
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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