First principles molecular dynamics simulation of a task-specific ionic liquid based on silver-olefin complex: Atomistic insights into a separation process

Journal of Physical Chemistry B

Volumn 112, Issue 33, 2008, Pages 10202-10206

  Jiang, De En ^a   Dai, Sheng ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; ETHYLENE; IONIC LIQUIDS; IONS; MOLECULAR DYNAMICS; OLEFINS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; SEPARATION; SILVER;

DENSITY FUNCTIONAL THEORIES; FIRST-PRINCIPLES MOLECULAR DYNAMICS; SEPARATION PROCESSES;

DYNAMICS;

EID: 51049124054     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp801914k     Document Type: Article

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