Liquid dimethyl carbonate: A quantum chemical and molecular dynamics study

Journal of Physical Chemistry B

Volumn 116, Issue 51, 2012, Pages 14892-14902

  Reddy, Sandeep K ^a   Balasubramanian, Sundaram ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; QUANTUM CHEMISTRY;

AMBIENT CONDITIONS; CAR-PARRINELLO MOLECULAR DYNAMICS SIMULATIONS; CIS-TRANS; DIMETHYL CARBONATE; DIPOLE DIPOLE INTERACTIONS; ENVIRONMENTALLY BENIGN; GLOBAL ENERGY MINIMA; HYDROGEN BONDED CLUSTERS; LIQUID PHASIS; LIQUID STATE; QUANTUM CHEMICAL; STRUCTURE AND DYNAMICS;

LIQUIDS;

EID: 84871657627     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp309374m     Document Type: Article

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