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Coordinates which diagonalize the kinetic energy of relative motion
Author(s) -
Hirschfelder Joseph O.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560030706
Subject(s) - kinetic energy , diatomic molecule , adiabatic process , potential energy , excited state , chemistry , potential energy surface , collision , relative motion , atomic physics , physics , classical mechanics , molecule , quantum mechanics , computer security , computer science
The most general sets of coordinates which diagonalize the relative kinetic energy of an N particle system are derived. These include reaction coordinates which are symmetric with respect to both the reactants and products. The angle of skewing of an idealized potential energy surface determines whether a molecular collision is adiabatic or leads to an exchange reaction. The shape of the potential energy surface leads to vibrationally excited diatomic molecules as products in hydrogen‐halogen reactions.