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Average potential energy criterion: Force fields of some planar XY3 and tetrahedral XY4 molecules
Authors:CP Girijavallabhan  K Babu Joseph  S Sasidharan Nair
Institution:Department of Physics, University of Cochin, Cochin 682 022, India
Abstract:Minimization of the average potential energy contributions from bending deformations due to zero point vibration serves as a good criterion for fixing the harmonic force fields in planar XY3 and tetrahedral XY4 nonhydride molecules. An explanation based on the concept of rehybridization of the orbitals of the central atom during a bending vibration is offered.
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