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Perturbation theory to determine the stable isomer of triatomic linear molecules
Author(s) -
Su MingDer
Publication year - 1993
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.560480406
Subject(s) - triatomic molecule , perturbation (astronomy) , perturbation theory (quantum mechanics) , molecule , linear molecular geometry , physics , computational chemistry , chemistry , statistical physics , quantum mechanics
The electronegativity perturbation theory up to the fourth order has been used to study the preferred isomer of linear triatomic molecules. Systems with 10–16 valence–electron systems are discussed and our results are in good agreement with the experiment. The only exception is the isomers of PNO. The usefulness of the perturbation theory is briefly discussed. © 1993 John Wiley & Sons, Inc.