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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 10 (1988), S. 303-311 
    ISSN: 0392-6737
    Keywords: General theories and computational techniques
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto Si mostra che i parametri presenti in una hamiltoniana efficace a legame forte sono correlati semplicemente alle correnti di tunnel e alla sovrapposizione tra i diversi orbitali degli atomi costituenti. Si considerano diversi sistemi e i risultati mostrano che il nostro approccio si applica sia a sistemi molecolari che di materia condensata.
    Abstract: Резюме ПоказЫвается, что параметрЫ, появляющиеср в эффективном Гамильтониане в приближении силъной связи, связнЫ с туннелънЫми токами и перекрЫтием между разяичнЫми орбиталями составляюших атомов. Рассматриваются различнЫе системЫ. ПолученнЫе результатЫ показЫвают, что наш подход применим к молекулярнЫм системам и к конденсироваииому веществу.
    Notes: Summary The parameters appearing in an effective tight-binding Hamiltonian are shown to be simply related to the tunnelling currents and the overlap between the different orbitals of the constituent atoms. Different systems are considered and the results show that our approach applies both to molecular and condensed-matter systems.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    International journal of dermatology 27 (1988), S. 0 
    ISSN: 1365-4632
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Inter-proton long-range and ring couplings were measured in o-anisaldehyde and in seven disubstituted anisoles. In order to investigate the transmission mechanisms of long-range couplings with the methoxy group, partially restricted molecular orbital (PRMO) calculations were carried out within the FPT-INDO method on o-anisaldehyde. σ- and π-electron, and through-space transmitted components were separated. For the energetically favoured trans-OMe conformation a through-space component was found for the couplings of the methyl protons with the ortho-proton, and it was found that its sign, as well as its magnitude, depends on their relative positions. If free rotation, however, is assumed for the methyl group, the averaged value for this coupling constant is negative.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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