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  • Atomic, Molecular and Optical Physics  (2)
  • Numerical Methods  (2)
  • Wiley-Blackwell  (4)
  • Institute of Physics
  • 2005-2009
  • 1990-1994  (1)
  • 1980-1984  (3)
  • 1955-1959
Collection
Keywords
Publisher
  • Wiley-Blackwell  (4)
  • Institute of Physics
Years
  • 2005-2009
  • 1990-1994  (1)
  • 1980-1984  (3)
  • 1955-1959
  • 1970-1974  (1)
Year
  • 1
    Electronic Resource
    Electronic Resource
    Symmetry properties of chemical graphs. VI. Isomerizations of octahedral complexes (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 69-89 
    Details
    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: Isomerization of octahedral complexes XY6, by a mechanism known as diagonal twist (in which two ligands in cis positions, one to another, exchange sites) is considered. Construction of the corresponding isomerization graph is outlined (reported before by Balaban) and the problem of determining its symmetry is considered. Alternative routes for deducing the order of the automorphism group are described. The group is confirmed to be S6 and representative symmetry permutations (one for each of the 11 classes of S6) are shown. Alternative pictorial representations of the 15-vertex graph are also shown.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260106
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  • 2
    Electronic Resource
    Electronic Resource
    Novel pentacoordinated bridged silicon anions (1992)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 44 (1992), S. 691-698 
    Details
    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: Both ab initio and semiempirical electronic structure calculations are used to investigate the molecular and electronic structures and eneregetic stabilities of an unusual bridged compound with the general formula [Y—SiH3—X—SiH3—Y]-, with Y = H or F and X = H, CH3, NH2, OH, F, or Cl. Most of these bridged anions are quite stable relative to YSiH3 + XSiH3Y-, and the stability is predicted to increase considerably when Y = H is replaced with Y = F.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560440503
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  • 3
    Electronic Resource
    Electronic Resource
    Natural convection of air in a square cavity: A bench mark numerical solution (1983)
    Chichester : Wiley-Blackwell
    International Journal for Numerical Methods in Fluids 3 (1983), S. 249-264 
    Details
    ISSN: 0271-2091
    Keywords: Natural Convection ; Numerical Methods ; Bench Mark Solution ; Square Cavity ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Details are given of the computational method used to obtain an accurate solution of the equations describing two-dimensional natural convection in a square cavity with differentially heated side walls. Second-order, central difference approximations were used. Mesh refnement and extrapolation led to solutions for 103≤Ra≤10 6 which are believed to be accurate to better than 1 per cent at the highest Rayleigh number and down to one-tenth of that at the lowest value.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/fld.1650030305
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  • 4
    Electronic Resource
    Electronic Resource
    Natural convection in a square cavity: A comparison exercise (1983)
    Chichester : Wiley-Blackwell
    International Journal for Numerical Methods in Fluids 3 (1983), S. 227-248 
    Details
    ISSN: 0271-2091
    Keywords: Comparison ; Natural Convection ; Numerical Methods ; Validation ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: A number of contributed solutions to the problem of laminar natural convection in a square cavity have been compared with what is regarded as a solution of high accuracy. The purposes of this exercise have been to confirm the accuracy of the bench mark solution and to provide a basis for the assessment of the various methods and computer codes used to obtain the contributed solutions.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/fld.1650030304
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