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Ab initio potential energy and dipole moment surfaces of (H2O)2

Authors :
Xinchuan Huang
Braams, Bastiaan J.
Bowman, Joel M.
Source :
Journal of Physical Chemistry A. Jan 19, 2006, Vol. 110 Issue 2, p445, 7 p.
Publication Year :
2006

Abstract

A full-dimensional ab initio potential energy surface and dipole moment surface for water dimer are presented. The surfaces can dissociate into two water molecules correctly, with equilibrium dissociation energy D(sub e) = 1665.74 cm(super -1).

Details

Language :
English
ISSN :
10895639
Volume :
110
Issue :
2
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.142527210