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
An ab initio study on the intramolecular hydrogen bond of protonated ethylene glycol and ethylenediamine
β Scribed by Shigeru Ikuta; Okio Nomura
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 376 KB
- Volume
- 154
- Category
- Article
- ISSN
- 0009-2614
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