Molecular orbital studies of hydrogen bo
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L. Morishima; K. Endo; T. Yonezawa
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Article
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1971
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Elsevier Science
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English
โ 317 KB
SCF molecular orbital calculations using INDO method have been performed for dimethyl nitroxide (DMNO)-methanol and DMNO-acetylene hydrogen bond systems. Negative spin densiw on the hydroql proton of methanol which has been confirmed by our previous NBIR studies was reproduced only for the model whe