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Reply on the comment “On the quadratic reaction path evaluated in a reduced potential energy surface model and the problem to locate transition states” [by J. M. Anglada, E. Besalú, J. M. Bofill, and R. Crehuet, J Comput Chem 2001, 22, 4, 387–406]
Author(s) -
Bofill Josep Maria
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 - 10.1002/1096-987x(20010415)22:5<541::aid-jcc1026>3.0.co;2-4
Subject(s) - quadratic equation , path (computing) , potential energy surface , energy (signal processing) , mathematics , surface (topology) , combinatorics , statistical physics , mathematical physics , physics , computer science , quantum mechanics , geometry , statistics , molecule , programming language
Some concepts used in the explanation of the reduced gradient following algorithm are discussed and explained. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 541–544, 2001