Periodic Systems of Molecular States from the Boson Group Dynamics of SO(3) × SU(2) s
An overview of the principles of group-dynamic periodic systems is given. The process by which atomic and molecular multiplets are obtained is then described, and reference is made to the support provided by the data. Atomic and molecular periodic systems consist of these multiplets situated in coor...
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Veröffentlicht in: | Journal of Chemical Information and Computer Sciences 1996-05, Vol.36 (3), p.396-398 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | An overview of the principles of group-dynamic periodic systems is given. The process by which atomic and molecular multiplets are obtained is then described, and reference is made to the support provided by the data. Atomic and molecular periodic systems consist of these multiplets situated in coordinates with axes which are the chemical angular-momentum quantum number l (or L) and the principal quantum number n (or n summed over all atoms). The periodic system for atoms serves as a template for the systems for molecules, and only one additional quantum number is needed for the molecular systems. Equivalence classes of substitutable multiplets are then defined and their numbers given. The structures of the resulting molecular periodic systems are shown as plots of the number of substitutable multiplets located at given quantum-number coordinates. Wall charts are available from R.A.H. or G.V.Zh. |
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ISSN: | 0095-2338 1549-960X |
DOI: | 10.1021/ci9500748 |