Ab initio versus molecular mechanics calculations for conformational energies of 2-propanol and cyclohexanol

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Bibliographic Details
Published in:Journal of physical chemistry (1952) 1988-06, Vol.92 (11), p.3046-3048
Main Authors: Palke, William E, Kirtman, Bernard
Format: Article
Language:English
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ISSN:0022-3654
1541-5740
DOI:10.1021/j100322a007