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On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states
Author(s) -
Anglada Josep Maria,
Besalú Emili,
Bofill Josep Maria,
Crehuet Ramon
Publication year - 2001
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.1045
Subject(s) - potential energy surface , potential energy , transition state , quadratic equation , path (computing) , energy (signal processing) , surface (topology) , computational chemistry , chemistry , statistical physics , mathematics , computer science , physics , geometry , atomic physics , statistics , molecule , catalysis , biochemistry , organic chemistry , programming language
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