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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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Description scientific article published on November 28, 2001
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author: Todd L. Lowary  Sherwin J Singer  Christopher M. Hadad 

Publication date November 1, 2001
Language English
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https://pubs.acs.org/doi/pdf/10.1021/ja011785r

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