water normal modes
Dear CCLers,
I'd like to compute the 3D PES of the water molecule taking as
coordinates the 3 normal modes of the H2O.
Anybody knows how to express these normal modes in terms of the cartesian
coordinates or any reference where it is already done?
Thank you for our replies!
Leticia
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Leticia Gonzalez
Freie Universitaet Berlin Tel: ()49 30 838 2097
Institut fuer Physikalische und Theoretische Chemie
Takustrasse 3
D-14195 Berlin E-Mail: leti %! at !%
chemie.fu-berlin.de
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