Symmetry aspects of nonrigid molecules and transition structures in chemical reactions

abstract

• 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 Willey & Sons, Inc.

authors

• Klein, Douglas

published proceedings

• INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

author list (cited authors)

• Bytautas, L., & Klein, D. J.

citation count

• 4

complete list of authors

• Bytautas, L||Klein, DJ

publication date

• January 1998

publisher

• Wiley  Publisher

published in

• INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY  Journal

keywords

• Nonrigid Molecule
• Potential Energy Surface
• Reaction Path
• Symmetry Group
• Transition Structure

Digital Object Identifier (DOI)

• 10.1002/(SICI)1097-461X(1998)70:1<205::AID-QUA18>3.0.CO;2-D

start page

• 205

end page

• 217

volume

• 70

issue

• 1

URL

• http://dx.doi.org/10.1002/(sici)1097-461x(1998)70:1%3C205::aid-qua18%3E3.0.co;2-d