ISSN:
0020-7608
Keywords:
potential energy surface
;
transition structure
;
nonrigid molecule
;
symmetry group
;
reaction path
;
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The symmetry group of a nonrigid molecule is related to that of the transition structure that is related to the rearrangement process which contributes to the “nonrigidity” of the molecular system. The resulting permutation/rotation/reflection groups for nonrigid molecules can be much larger in order than the usual Longuet-Higgins permutation/inversion group. A few examples are presented to illustrate the definition of the symmetry group for nonrigid molecules. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 205-217, 1998
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
