Hybrid ab initio VB/MM method - A valence bond ride through classical landscapes

Journal of Physical Chemistry B

Volumn 109, Issue 49, 2005, Pages 23638-23644

  Shurki, Avital ^a,b   Crown, Hadar A ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

DATA ACQUISITION; ELECTROSTATICS; MATRIX ALGEBRA; RESONANCE;

BOND DISSOCIATION PROCESS; ELECTROSTATIC INTERACTIONS; VALENCE BOND (VB) THEORY;

CHEMICAL BONDS;

EID: 30544454381     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp054913x     Document Type: Article

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