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Probing Chemical Reactions: Evidence for Exploration of an Excited Potential Energy Surface at Thermal Energies

โœ Scribed by Barnes, M. D.; Brooks, P. R.; Curl, R. F.; Johnson, B. R.


Book ID
121153136
Publisher
American Association for the Advancement of Science
Year
1993
Tongue
English
Weight
160 KB
Volume
261
Category
Article
ISSN
0036-8075

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## Abstract Potential energy surfaces form a central concept in the application of electronic structure methods to the study of molecular structures, properties, and reactivities. Recent advances in tools for exploring potential energy surfaces are surveyed. Methods for geometry optimization of equ