Ab initio and indo molecular orbital cal
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Jan van Lierop; Ad van der Avoird; Binne Zwanenburg
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Article
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1977
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Elsevier Science
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French
β 557 KB
Molecular orbital calculations are presented for the parent sulfine and some mono-and dihalogensubstituted sulfines, using ab initio and INDO methods. A partial geometry optimization was performed for nine different sulfines. Charge distributions, potential surfaces and dipole moments were calculate