Conformations of dimethyl carbonate and its complexes with water: A matrix isolation infrared and ab initio study

Journal of Molecular Structure

Volumn 1024, Issue , 2012, Pages 84-93

  Kar, Bishnu Prasad ^a   Ramanathan, N ^a   Sundararajan, K ^a   Viswanathan, K S ^a,b  

^a INDIRA GANDHI CENTRE FOR ATOMIC RESEARCH   (India)

^b INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH MOHALI   (India)

Author keywords

Ab initio computations; Conformations; Dimethyl carbonate; Hydrogen bonded complex; Matrix isolation infrared

Indexed keywords

AB INITIO COMPUTATIONS; AB INITIO STUDY; ATOMS-IN-MOLECULES; CARBONYL OXYGEN; CIS-TRANS; CONFORMATIONAL PREFERENCES; DELOCALIZATIONS; DIMETHYL CARBONATE; EXPANSION PROCESS; GAS MATRIX; HYDROGEN-BONDED COMPLEXES; INFRARED SPECTRUM; INTERMOLECULAR INTERACTIONS; MATRIX ISOLATION; MATRIX ISOLATION EXPERIMENTS; MATRIX ISOLATION INFRARED SPECTROSCOPY; NATURAL BOND ORBITAL ANALYSIS; PROTON ACCEPTORS; SUPERSONIC JET SOURCE;

CONFORMATIONS; EXPERIMENTS; HYDROGEN; INERT GASES; INFRARED SPECTROSCOPY; SUPERSONIC AERODYNAMICS;

MATRIX ALGEBRA;

EID: 84865499209     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2012.05.007     Document Type: Article

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