Electronic stress as a guiding force for chemical bonding

Topics in Current Chemistry

Volumn 351, Issue , 2014, Pages 103-124

  Guevara García, Alfredo ^a   Ayers, Paul W ^a   Jenkins, Samantha ^b,c   Kirk, Steven R ^b,c   Echegaray, Eleonora ^d   Toro Labbe, Alejandro ^d  

^a MCMASTER UNIVERSITY   (Canada)

^b HUNAN NORMAL UNIVERSITY   (China)

^c UNIVERSITY WEST   (Sweden)

^d PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

Author keywords

Chemical reaction prediction; Conceptual density functional theory; Ehrenfest force; Electronic stress tensor; Quantum theory of atoms in molecules; Reaction force partitioning

Indexed keywords

EID: 84920920971     PISSN: 03401022     EISSN: None     Source Type: Book Series    
DOI: 10.1007/128_2011_193     Document Type: Article

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