Open AccessA generalized force-modified potential energy surface for mechanochemical simulations
Author(s) -
Gopinath Subramanian,
Nithin Mathew,
Jeffery A. Leiding
Publication year - 2015
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4932103
Subject(s) - saddle point , stationary point , curvature , hessian matrix , potential energy surface , potential energy , transition state , harmonic , chemistry , molecule , molecular physics , physics , computational chemistry , atomic physics , quantum mechanics , mathematics , mathematical analysis , geometry , biochemistry , catalysis
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