Determination of the lowest energy point on the crossing seam between two potential surfaces using the energy gradient
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference14 articles.
1. A theoretical study on the mechanism of electronic to vibrational energy transfer in Hg(3P)+ CO collisions
2. The path of chemical reactions - the IRC approach
3. On finding transition states
4. Optimization of equilibrium geometries and transition structures
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