Effective potentials for H2O-He and H2O-Ar systems. Isotropic induction-dispersion potentials

Effective potentials for H2O-He and H2O-Ar systems. Isotropic induction-dispersion potentials

Xehetasun bibliografikoak
Parent link:	The European Physical Journal D: Scientific Journal.— , 1999- Vol. 71, iss. 5.— 2017.— [108, 8 p.]
Erakunde egilea:	Национальный исследовательский Томский политехнический университет (ТПУ) Юргинский технологический институт (филиал) (ЮТИ) Кафедра информационных систем (ИС)
Beste egile batzuk:	Starikov V. I. Vitaly Ivanovich, Petrova T. M. Tatiana, Solodov A. M. Alexander, Solodov A. A. Alexander, Deichuli V. M. Deichuli
Gaia:	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
Hizkuntza:	ingelesa
Argitaratua:	2017
Gaiak:	электронный ресурс труды учёных ТПУ molecular physics chemical physics молекулярная физика химическая физика изотропные эффекты
Sarrera elektronikoa:	http://dx.doi.org/10.1140/epjd/e2017-70685-9
Formatua:	Baliabide elektronikoa Liburu kapitulua
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=657798

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