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Hydrogen bonded OH-stretching vibration in the water dimer

Authors :
Schofield, Daniel P.
Lane, Joseph R.
Kjaergaard, Henrik G.
Source :
Journal of Physical Chemistry A. Feb 1, 2007, Vol. 111 Issue 4, 567-572
Publication Year :
2007

Abstract

The frequencies and intensities of the hydrogen-bonded OH-stretching transitions in the water dimmer complex are calculated along with the investigation of the effects of counterpoise correcting the potential energy surface and dipole moment function. It is found that the effect of using a numeric potential is significant for higher overtones.

Details

Language :
English
ISSN :
10895639
Volume :
111
Issue :
4
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
edsgcl.159880448