๐”– Bobbio Scriptorium
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Rigorous derivation of reaction path degeneracy in transition state theory

โœ Scribed by Andrew J. Karas; Robert G. Gilbert; Michael A. Collins


Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
341 KB
Volume
193
Category
Article
ISSN
0009-2614

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โœ Stefan Fischer; Martin Karplus ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 621 KB

An algorithm is presented for determining multi-dimensional reaction coordinates between two known conformers. Only the energy function and its gradient are required. The resulting paths follow the adiabatic energy valleys and have energy maxima that are true saddle points, which can be multiple alo