Treatment of dilute clusters of methanol and water by ab initio quantum mechanical calculations

Journal of Physical Chemistry A

Volumn 109, Issue 5, 2005, Pages 807-815

  Ruckenstein, Eli ^a   Shulgin, Ivan L ^a   Tilson, Jeffrey L ^b  

^a the State University of New York   (United States)

^b UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULES; CLUSTERS; INTERACTION ENERGIES; PROTON DONORS;

COMPOSITION; HYDRATION; HYDROPHOBICITY; METHANOL; MIXTURES; PRESSURE EFFECTS; THERMAL EFFECTS;

QUANTUM THEORY;

METHANOL; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; HYDROGEN BOND; INDICATOR DILUTION CURVE;

COMPUTER SIMULATION; HYDROGEN BONDING; INDICATOR DILUTION TECHNIQUES; METHANOL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; WATER;

EID: 13444273458     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp046536e     Document Type: Article

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