Electronic structure and thermochemistry
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H.H. Michels; R.H. Hobbs
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Article
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1993
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Elsevier Science
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English
โ 670 KB
An ab initio study of the electronic structure of SiH; and SiF; anions, and the corresponding neutral molecules, has been carried out using perturbation theory. Correlation energy treatments include both MP4 and QCISD methods. The anion thermochemistry is calculated through several isodesmic process