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  • 1
    Electronic Resource
    Electronic Resource
    Reduced equations of motion for semiclassical dynamics in phase space (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 3441-3454 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Time-dependent self-consistent equations for semiclassical dynamics in phase space are developed. The method is based on constructing a Gaussian density matrix, whose equations of motion are obtained by requiring that the first two moments of the coordinates and momenta have the correct time evolution. The method can yield, in principle, the exact values of these moments for all time. The present method can be applied for the time evolution of mixed states in phase space and may, therefore, be particularly useful for molecular dynamics in condensed phases. Raman excitation profiles in anharmonic molecules are calculated and show excellent agreement with exact calculations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452000
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Transplacental transfer of rodent microfilariae induces antigen-specific tolerance in rats (1982)
    [s.l.] : Nature Publishing Group
    Nature 299 (1982), S. 361-363 
    Details
    ISSN: 1476-4687
    Source: Nature Archives 1869 - 2009
    Topics: Biology , Chemistry and Pharmacology , Medicine , Natural Sciences in General , Physics
    Notes: [Auszug] All experiments were performed in inbred Fischer/ICO rats. Infant rats were bred in our animal facility and the adults were obtained commercially (IFFA CREDO). Infective larvae of D. viteae cannot reach maturity in Fischer rats but surgically transplanted female adults of D. viteae will establish ...
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1038/299361a0
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Open-Shell coupled-cluster method: Variational and nonvariational calculation of ionization potentials (1986)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 29 (1986), S. 425-433 
    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: A hermitian, variational open-shell coupled-cluster method is described and applied to the calculation of H2O and N2 ionization potentials in the T ≈ T2 approximation. A nonvariational calculation is also carried out, with the inclusion of T1 and T3 in addition to T2. Both methods give fair agreement with experiment when only T2 is taken into account. T3, which is included at present in the nonvariational scheme only, has a considerable effect on the results and gives good agreement with experiment.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560290316
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    Paper (German National Licenses)
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