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A Drude-model approach to dispersion interactions in dipole-bound anions

Wang, F and Jordan, KD (2001) A Drude-model approach to dispersion interactions in dipole-bound anions. Journal of Chemical Physics, 114 (24). 10717 - 10724. ISSN 0021-9606

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Abstract

A model potential approach used to study the interactions between an excess electron and polar molecules was described. The polarization and dispersion interactions in the model were studied using Drude oscillators. However, some sources of errors present in the model included the approximations in generating the repulsive core; the use of a single polarizable center on each monomer; and the neglect of higher order polarizabilities.


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Details

Item Type: Article
Status: Published
Creators/Authors:
CreatorsEmailPitt UsernameORCID
Wang, F
Jordan, KDjordan@pitt.eduJORDAN
Centers: Other Centers, Institutes, or Units > Center for Molecular and Materials Simulations
Date: 22 June 2001
Date Type: Publication
Journal or Publication Title: Journal of Chemical Physics
Volume: 114
Number: 24
Page Range: 10717 - 10724
DOI or Unique Handle: 10.1063/1.1376630
Schools and Programs: Dietrich School of Arts and Sciences > Chemistry
Refereed: Yes
ISSN: 0021-9606
Date Deposited: 01 Nov 2012 16:57
Last Modified: 02 Feb 2019 15:56
URI: http://d-scholarship.pitt.edu/id/eprint/16221

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