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  • Spacecraft Propulsion and Power  (20)
  • EARTH RESOURCES AND REMOTE SENSING  (10)
  • Engineering General  (10)
  • Computational Chemistry and Molecular Modeling  (8)
  • Organic Chemistry  (8)
  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 1317-1328 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Photoenolization of a ketone in its lowest triplet state was examined using the AM1 semiempirical molecular orbital method with complete geometry optimization at the configuration interaction level in the restricted Hartree-Fock frame. The theoretical barrier fits with a polynomial given by Eq. (1) and the probability of tunneling of hydrogen was calculated by the WKB method. The density of states above the zero-point level was estimated by the Whitten-Rabinovitch approximation. Rate constants for the hydrogen and deuterium-abstraction processes via tunneling were then computed at different temperatures. © 1994 John Wiley & Sons, Inc.
    Additional Material: 6 Ill.
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 30 (1990), S. 419-430 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new formulation of an eighteen-degrees-of-freedom higher-order triangular plate bending element using triangular area co-ordinates is presented. The displacement function w is taken as the complete fifth-order polynomial in area co-ordinates. The normal slope along an edge of the triangle is constrained to vary cubically. The twenty-one constants are expressed explicity in terms of eighteen degrees of freedom. The element stiffness matrix is expressed as a product of component matrices for which explicit expressions are developed and presented. No numerical inversion or integration is necessary. The formulation is expected to be useful specially for microcomputers.
    Additional Material: 1 Ill.
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  • 3
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 32 (1991), S. 1389-1409 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An explicit expression for the stiffness matrix is worked out for a triangular plate bending element considering the effect of transverse shear deformation. The element has twelve nodes on the sides and four nodes internal to it. The formulation is displacement type and the use of area co-ordinates makes it possible to obtain the shape functions explicitly. Separate polynomials are assumed for transverse displacement and rotations. To obtain the element stiffness matrix no matrix inversion or numerical integration need be carried out and only a few matrix multiplications of low order are necessary. The element, which is initially of thirty five degrees of freedom, can be reduced to a thirty degrees of freedom one by condensation of the internal nodes. An interesting feature of the element developed is that the values of nodal moments computed at a node point, considering different elements surrounding the node, do not vary significantly. Thus the nodal moments can be obtained directly at node points. Also, the element does not give rise to any inconvenience like locking, even for very thin plates. The straightforward approach in formation of the element stiffness will cut down the storage space considerably and will also call for less CPU time, thus making the use of the element well suited to low capacity computers. A number of plate bending problems have been worked out using the present element for different thickness to side ratios and a comparison has been made with the available results. Good accuracy has been observed in all cases, even for a small number of elements.
    Additional Material: 5 Ill.
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  • 4
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A general method for synthesis of folic acid, its conjugates and analogues.A new and general method for the synthesis of folic acid, folic acid conjugates and folic acid analogues is described. The key step, i.e. the condensation of N(2′)-acetyl-6-formyl-pterine (I: R1 = COCH3) with aminoaryl derivatives II, is achieved by refluxing in absolute ethanol to afford the azomethines III. NaBH4-reduction followed by basic hydrolysis gives pure V products in high yield, free from 7-isomers.
    Additional Material: 1 Tab.
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  • 5
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Proton catalysed [1,2]-H-shift in the rearrangement of 6,7-diphenyl-5,6-dihydropterine (I) to 6,7-diphenyl-7,8-dihydropterine (III)The arrangement from I to the thermodynamically more stable III undergoes through a acid catalysed [1,2]-H-shift (intramolecular 6,7-hydride rearrangement) (see Scheme 1).
    Additional Material: 2 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 19 (1983), S. 1183-1192 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The results of the finite element analysis of 3-ply laminated conical shells with light core for linear panel flutter are presented and certain advantages of such shells discussed.
    Additional Material: 6 Ill.
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 151 (1938), S. 82-96 
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 152 (1939), S. 9-19 
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 6 (1972), S. 337-345 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The variation perturbation method in the coupled Hartree-Fock (HF) scheme has been used to calculate the fourth-order energies of He, Li+ and Be2+ ions subjected to a uniform external electric field. The hyper-polarizabilities γh which are related to the fourthorder energies have been calculated neglecting intra-atomic correlation. For He the observed value is γh = 53.6 ± 4.0 a.u. The present estimate in the coupled and uncoupled HF schemes yield 36.2 and 45.3 a.u. respectively. The other calculations using correlated ground state wave function gave values in the range 42-44 a.u. The discrepancies between our result and those of others have been discussed.
    Additional Material: 2 Tab.
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  • 10
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 18 (1980), S. 995-1003 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A simple self consistent variation perturbation method in the coupled Hartree-Fock scheme has been proposed to calculate 1s2s 1S state of the He atom. The present paper deals with an 1s2s 1S wave function in which all the relevant orthogonality conditions are imposed in successive stages. The resulting wave functions together with some interesting features are discussed.
    Additional Material: 3 Ill.
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