A free energy perturbation study of solvation in hydrazine and carbon tetrachloride

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Bibliographic Details
Published inJournal of the American Chemical Society Vol. 113; no. 12; pp. 4381 - 4389
Main Authors Rao, B. G, Singh, U. C
Format Journal Article
LanguageEnglish
Published Washington, DC American Chemical Society 01.06.1991
Subjects
Chemistry
Exact sciences and technology
General and physical chemistry
Solutions
Liquid state
Gibbs free energy
Perturbation method
Solvation
Simulation
Carbon tetrachloride
Molecular dynamics method
Theoretical study
Hydrazine
Thermodynamic properties
Halocarbon
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Bibliography:istex:07B31120A90F693C8991BFB6C9F04C272D04B8DE
ark:/67375/TPS-TN2S37GC-Z
ISSN:0002-7863
1520-5126
DOI:10.1021/ja00012a002