An Ab initio study on the conformations
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Theresa Julia Zielinski; Michael R. Peterson; Imre G. Csizmadia; Robert Rein
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Article
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1982
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John Wiley and Sons
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English
⚖ 422 KB
👁 1 views
Ab initio SCF molecular orbital calculations have been performed to ascertain the conformational preferences of protonated, neutral, and deprotonated amidine [HC(=NH)NHz], using the 3-21G split valence basis set. The states of eight stable species, eight transition states, and four higher-order sadd