Computational analysis of the potential energy surfaces of glycerol in the gas and aqueous phases: effects of level of theory, basis set, and solvation on strongly intramolecularly hydrogen-bonded systems.

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Bibliographic Details
Title: Computational analysis of the potential energy surfaces of glycerol in the gas and aqueous phases: effects of level of theory, basis set, and solvation on strongly intramolecularly hydrogen-bonded systems.
Authors: Callam CS; Department of Chemistry, The Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210, USA., Singer SJ, Lowary TL, Hadad CM
Source: Journal of the American Chemical Society [J Am Chem Soc] 2001 Nov 28; Vol. 123 (47), pp. 11743-54.
Publication Type: Comparative Study; Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 7503056 Publication Model: Print Cited Medium: Print ISSN: 0002-7863 (Print) Linking ISSN: 00027863 NLM ISO Abbreviation: J Am Chem Soc Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:0002-7863
DOI:10.1021/ja011785r