Linear dependence of the interaction energy on intramolecular distance for adsorbed or clustered diatomic molecules

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Abstract

The dependence of several molecular properties (polarizabilities, multipole moments) of adsorbed diatomic molecules on the intramolecular distance are discussed within time-independent perturbation theory. The nearly linear dependence of the intermolecular interaction energy and molecular properties rationalizes the small variation of the property functions compared with those for the gas state. This relative independence of the property functions was demonstrated numerically in a previous paper using an iterative procedure for molecular hydrogen adsorbed in a zeolite-A-type framework.
Original languageEnglish
Pages (from-to)1433-1439
Number of pages7
JournalMolecular physics
Volume98
Issue number18
DOIs
Publication statusPublished - 20 Sep 2000

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Zeolites
diatomic molecules
Hydrogen
Gases
molecular properties
Molecules
interactions
multipoles
energy
perturbation theory
moments
hydrogen
gases

Cite this

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title = "Linear dependence of the interaction energy on intramolecular distance for adsorbed or clustered diatomic molecules",
abstract = "The dependence of several molecular properties (polarizabilities, multipole moments) of adsorbed diatomic molecules on the intramolecular distance are discussed within time-independent perturbation theory. The nearly linear dependence of the intermolecular interaction energy and molecular properties rationalizes the small variation of the property functions compared with those for the gas state. This relative independence of the property functions was demonstrated numerically in a previous paper using an iterative procedure for molecular hydrogen adsorbed in a zeolite-A-type framework.",
author = "Alexander Larin and Laurence Leherte and D.P. Vercauteren and D.N. Trubnikov",
note = "Copyright 2005 Elsevier B.V., All rights reserved.",
year = "2000",
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AU - Trubnikov, D.N.

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PY - 2000/9/20

Y1 - 2000/9/20

N2 - The dependence of several molecular properties (polarizabilities, multipole moments) of adsorbed diatomic molecules on the intramolecular distance are discussed within time-independent perturbation theory. The nearly linear dependence of the intermolecular interaction energy and molecular properties rationalizes the small variation of the property functions compared with those for the gas state. This relative independence of the property functions was demonstrated numerically in a previous paper using an iterative procedure for molecular hydrogen adsorbed in a zeolite-A-type framework.

AB - The dependence of several molecular properties (polarizabilities, multipole moments) of adsorbed diatomic molecules on the intramolecular distance are discussed within time-independent perturbation theory. The nearly linear dependence of the intermolecular interaction energy and molecular properties rationalizes the small variation of the property functions compared with those for the gas state. This relative independence of the property functions was demonstrated numerically in a previous paper using an iterative procedure for molecular hydrogen adsorbed in a zeolite-A-type framework.

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