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  • Wiley-Blackwell  (3)
  • 1990-1994  (2)
  • 1985-1989  (1)
Document type
Keywords
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Years
Year
  • 1
    Electronic Resource
    Electronic Resource
    Ab initio calculations of many-body energy expansion in Linn+F- clusters (1992)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 41 (1992), S. 281-292 
    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: The effects of the basis-set size on many-body energy expansion in Linn+F- clusters are investigated and correlated with previously reported values on Linn+Cl- analogs. Coulomb and non-Coulomb energies in Linn+F- at different configurations are also examined. Although at the minimal STO-3G basis Vna(3, 4) and Vna(4, 4) nonadditivity terms were the smallest in the D3h configuration, they were the largest at the extended 6-311 ++G basis. V(m, n) terms where m = n ≥ 3 were found to be playing a small role in the chemistry and physics of Linn+F- clusters compared with V(3, n) terms in Linn+Cl- clusters.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560410205
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Silylation-Mediated Oxidation of 2,2′-Anhydro-5,6-dihydro-5-azacytidineAbbreviations used TMS, trimethylsilyl; BSTFA, N,O-bis(trimethylsilyl)-trifluoroacetamide; BSA, N,O-bis(trimethylsilyl)-acetamide (1987)
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 329 (1987), S. 209-216 
    Details
    ISSN: 0021-8383
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Reaction of 5,6-dihydro-5-azacytidine hydrochloride 1 with 2-acetoxy-isobutyryl chloride produced 5′-O-(2,5,5-trimethyl-1,3-dioxolan-4-on-2-yl)-3′-O-acetyl-5,6-dihydro-2,2′-anhydro-1-β-D-arabinofuranosyl-5-azacytosine hydrochloride 2, which upon partial hydrolysis with EtOH/HCl at 4°C gave 3′-O-acetyl-5,6-dihydro-2,2′-anhydro-1-β-D-arabinofuranosyl-5-azacytosine hydrochloride 3. The hydrolysis of 3 with EtOH/HCl at 25°C gave 2,2′-anhydro-5,6-dihydro-1-β-D-arabinofuranosyl-5-azacytosine hydrochloride 4. Silylation oxidation of 3 and 4 with BSTFA or BSA in acetonitrile produced the N-substituted derivatives of 1-β-D-arabinofuranosyl-5-azacytosine 8 and 7, respectively.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prac.19873290208
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    A non-Jacobian numerical quadrature for semi-infinite integrals (1990)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 29 (1990), S. 833-846 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A non-Jacobian numerical quadrature is proposed for evaluating improper integrals over a semi-infinite range. The quadrature first transforms the semi-infinite integration limit into a finite limit between - 1 and 1. Standard numerical integration procedures such as Gauss-Chebyshev or Gauss-Legendre schemes can then be used to obtain the integral value. Unlike traditional methods using Laguerre or Hermite polynomials, numerical results show that no specific weight function is required for the proposed quadrature to converge as long as the integral exists. The transformation also includes a scale parameter which effectively expands the numerical-integration sampling points along its original semi-infinite integration path. Numerical examples shows that selection of the scale parameter is rather flexible and convergence can always be achieved within a wide range of parameter values. Several applied mechanics problems are also illustrated to validate the proposed numerical scheme. The quadrature can be easily incorporated into finite element or boundary element schemes for the evaluation of semi-infinite integrals.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620290411
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    Paper (German National Licenses)
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