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Raman study of the conformational equilibrium of ethylene glycol in dimethyl sulfoxide

โœ Scribed by M. Schwartz


Book ID
113373984
Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
511 KB
Volume
33
Category
Article
ISSN
1386-1425

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โœ B. J. Costa Cabral ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 678 KB

Density functional calculations for ethylene glycol (CH,OHCH,OH) in the gas and in a dielectric medium are reported. The condensed-phase calculations are based on the self-consistent reaction field approach and the environment has the dielectric constant of liquid methanol. NPT Monte Carlo simulatio