Molecular Structure of Carbene Analogues:  A Computational Study

Systematic computational studies on the dihydrides and dihalides of group 14 elements have been performed, for their ground state and first excited state. We present equilibrium geometries of the lowest lying singlet and triplet states and singlet−triplet energy separation data on the whole series o...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2003-05, Vol.107 (21), p.4314-4321
Hauptverfasser: Szabados, Ágnes, Hargittai, Magdolna
Format: Artikel
Sprache:eng
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