A simplified eigenvector-following technique for locating transition points in an energy landscape

Journal of Physical Chemistry A

Volumn 109, Issue 42, 2005, Pages 9578-9583

  Mauro, John C ^a,b   Loucks, Roger J ^b   Balakrishnan, Jitendra ^a  

^a Corning Incorporated ^*  (United States)

^b ALFRED UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADAMS LANDSCAPE; EIGENVECTOR-FOLLOWING TECHNIQUE; ENERGY LANDSCAPE; TRANSITION POINTS;

ALGORITHMS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON TRANSITIONS; LAGRANGE MULTIPLIERS; MOLECULAR STRUCTURE; SULFUR;

PHYSICAL CHEMISTRY;

ALGORITHM; ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION;

ALGORITHMS; COMPUTER SIMULATION; MODELS, CHEMICAL;

EID: 27744591635     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp053581t     Document Type: Article

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