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Theoretical evaluation of barriers for hindered rotation of molecules in binary solvents. / Baranova, G. I.; Bedrina, M. E.; Bakhshiev, N. G.
в: Russian Journal of Applied Chemistry, Том 72, № 5, 1999, стр. 765-770.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Theoretical evaluation of barriers for hindered rotation of molecules in binary solvents
AU - Baranova, G. I.
AU - Bedrina, M. E.
AU - Bakhshiev, N. G.
PY - 1999
Y1 - 1999
N2 - A theoretical evaluation is made of the barrier for hindered rotation of an HC1 molecule in binary cryosystems, resulting from the nonuniformity of molecular composition of its nearest environment (argon matrix doped with N2 or CO molecules). The calculations were done using Buckingham's pairwise interaction potential and a quantum-mechanical description of the contribution of intermolecular repulsion forces.
AB - A theoretical evaluation is made of the barrier for hindered rotation of an HC1 molecule in binary cryosystems, resulting from the nonuniformity of molecular composition of its nearest environment (argon matrix doped with N2 or CO molecules). The calculations were done using Buckingham's pairwise interaction potential and a quantum-mechanical description of the contribution of intermolecular repulsion forces.
UR - http://www.scopus.com/inward/record.url?scp=27844539443&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:27844539443
VL - 72
SP - 765
EP - 770
JO - Russian Journal of Applied Chemistry
JF - Russian Journal of Applied Chemistry
SN - 1070-4272
IS - 5
ER -
ID: 9442483