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Intermolecular potential energy surface for CS 2 dimer

Farrokhpour, Hossein; Mombeini, Zainab; Namazian, Mansoor; Coote, Michelle

Description

A new four-dimensional intermolecular potential energy surface for CS 2 dimer is obtained by ab initio calculation of the interaction energies for a range of configurations and center-of-mass separation distances for the first time. The calculations were

CollectionsANU Research Publications
Date published: 2011
Type: Journal article
URI: http://hdl.handle.net/1885/58337
Source: Journal of Computational Chemistry
DOI: 10.1002/jcc.21658

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