Theoretical studies on the structure and
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John O. Morley
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Article
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1998
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John Wiley and Sons
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English
โ 297 KB
๐ 2 views
Molecular orbital calculations are reported on the structure and electronic properties of diphenyl sulfide using both semiempirical and ab initio methods. Neither the MNDO nor AM1 methods give satisfactory structures, but better results are obtained with the PM3 method. At the ab initio level, the 4