Electronic Structure and Thermodynamic Properties of the Molecule GeC from All-Electron ab Initio Calculations and Knudsen Effusion Mass Spectrometric Measurements

All-electron ab initio multiconfiguration self-consistent-field (CASSCF) and multireference configuration interaction (MRCI) calculations have been carried out to determine the low-lying states of the molecule GeC. The electronic ground state is predicted to be 3Π. Based on the results of the MRCI c...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 1998-12, Vol.102 (52), p.10763-10767
Hauptverfasser:	Shim, I, Baba, M. Sai, Gingerich, K. A
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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