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
β¦ LIBER β¦
Ab initiostudy of the conformational equilibrium of ethylene glycol
β Scribed by Benedito J. Costa Cabral; Lidia M. P. C. Albuquerque; Fernando M. S. Silva Fernandes
- Publisher
- Springer
- Year
- 1991
- Tongue
- English
- Weight
- 476 KB
- Volume
- 78
- Category
- Article
- ISSN
- 1432-2234
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