Stalking higher energy conformers on the potential energy surface of charged species

Journal of Chemical Theory and Computation

Volumn 11, Issue 3, 2015, Pages 871-883

  Brites, Vincent ^a   Cimas, Alvaro ^a   Spezia, Riccardo ^a   Sieffert, Nicolas ^b,c   Lisy, James M ^d   Gaigeot, Marie Pierre ^a,e  

^a UNIVERSITÉ D EVRY VAL D ESSONNE   (France)

^b UNIV GRENOBLE ALPES   (France)

^c CNRS   (France)

^d UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^e INSTITUT UNIVERSITAIRE DE FRANCE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

LITHIUM; WATER;

CHEMISTRY; KINETICS; MOLECULAR DYNAMICS; QUANTUM THEORY; SURFACE PROPERTY; TIME FACTOR;

KINETICS; LITHIUM; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; SURFACE PROPERTIES; TIME FACTORS; WATER;

EID: 84924366865     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct5008197     Document Type: Article

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