## Abstract The electrostatic potentials of 21 molecules containing different functional groups has been computed at the __ab initio__ RHF/6β31G\* level on a series of solvent accessible surfaces and compared with MNDO, AM1, and PM3βderived pontentials. We analyzed in detail the distribution of ele
A comparative ab initio study of some molecular systems based on hydrazine and formamide
β Scribed by Tor Ottersen; Harald H. Jensen
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 716 KB
- Volume
- 26
- Category
- Article
- ISSN
- 0022-2860
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