The RISM method for estimating hydrophobic intramolecular interactions between distant groups

Authors
Golovanov, IB Tikhonov, DA Tsygankova, IG
Citation
Ib. Golovanov et al., The RISM method for estimating hydrophobic intramolecular interactions between distant groups, RUSS J PH C, 74(5), 2000, pp. 763-766
Citations number
13
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY
ISSN journal
00360244 → ACNP
Volume
74
Issue
5
Year of publication
2000
Pages
763 - 766
Database
ISI
SICI code
0036-0244(200005)74:5<763:TRMFEH>2.0.ZU;2-5
Abstract
The RISM (Reference Interaction Site Model) method was used to calculate th e Gibbs energies of transfer of various hydrocarbon conformers from the gas phase to water. The difference in the Gibbs energies of transfer between l inear conformers and their compact counterparts with spatially closely spac ed groups removed from each other along hydrocarbon chains is determined by their hydrophobic interactions.