Effective potentials for H2O-He and H2O-Ar systems. Isotropic induction-dispersion potentials; The European Physical Journal D; Vol. 71, iss. 5

Effective potentials for H2O-He and H2O-Ar systems. Isotropic induction-dispersion potentials; The European Physical Journal D; Vol. 71, iss. 5

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Parent link:The European Physical Journal D: Scientific Journal.— , 1999-
Vol. 71, iss. 5.— 2017.— [108, 8 p.]
Korporativní autor: Национальный исследовательский Томский политехнический университет (ТПУ) Юргинский технологический институт (филиал) (ЮТИ) Кафедра информационных систем (ИС)
Další autoři: Starikov V. I. Vitaly Ivanovich, Petrova T. M. Tatiana, Solodov A. M. Alexander, Solodov A. A. Alexander, Deichuli V. M. Deichuli
Shrnutí:Title screen
The vibrational and rotational dependence of the effective isotropic interaction potential of H2O-He and H2O-Ar systems, taken in the form of Lennard-Jones 6-12 potential has been analyzed. The analysis is based on the experimental line broadening (γ) and line shift (δ) coefficients obtained for different vibrational bands of H2O molecule perturbed by He and Ar. The first and second derivatives of the function C(1)(q) for the long-range part of the induction-dispersion potential with respect to the dimensionless normal coordinates q were calculated using literature information for the dipole moment and mean polarizability functions μ(q) and α(q), respectively. These derivatives have been used in the calculations of the quantities which determine the vibrational and rotational dependence of the long-range part of the effective isotropic potential. The optimal set of the derivatives for the function C(1)(q) is proposed. The comparison with the experimental data has been performed. Graphical abstract: [Figure not available: see fulltext.]. © 2017, EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg.
Режим доступа: по договору с организацией-держателем ресурса
Jazyk:angličtina
Vydáno: 2017
Témata:
электронный ресурс
труды учёных ТПУ
molecular physics
chemical physics
молекулярная физика
химическая физика
изотропные эффекты
On-line přístup:http://dx.doi.org/10.1140/epjd/e2017-70685-9
Médium: Elektronický zdroj Kapitola
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=657798

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