Generalized electronic diabetic approach to structural similarity and the hammond postulate

International Journal of Quantum Chemistry

Volumn 107, Issue 2, 2007, Pages 382-395

  Arteca, Gustavo A ^a,b   Tapia, O ^b  

^a LAURENTIAN UNIVERSITY   (Canada)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

Diabatic states; Energy barriers; Hammond postulate; Reaction probabilities; Transition state

Indexed keywords

ELECTROMAGNETIC FIELD EFFECTS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; ELECTRONS; QUANTUM THEORY;

DIABATIC STATES; ENERGY BARRIERS; HAMMOND POSTULATE; REACTION PROBABILITIES; TRANSITION STATE;

MOLECULAR DYNAMICS;

EID: 33846030185     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21157     Document Type: Conference Paper

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