Theoretical investigations of candidate crystal structures for -carbonic acid

Journal of Chemical Physics

Volumn 134, Issue 12, 2011, Pages

  Reddy, Sandeep Kumar ^a   Kulkarni, Chidambar H ^a   Balasubramanian, Sundaram ^a  

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

Author keywords

[No Author keywords available]

Indexed keywords

CARBONIC ACIDS; CHAIN-LIKE; COMPUTATIONAL TOOLS; EMPIRICAL FORCE; EXPERIMENTAL DATA; FAR INFRARED SPECTRUM; FINITE TEMPERATURES; GASPHASE; HYDROGEN BONDED MOLECULES; HYDROGEN BONDING NETWORK; HYDROGEN BONDINGS; INFRARED SPECTRUM; MOLECULAR DYNAMICS SIMULATIONS; PERIODIC DENSITY FUNCTIONAL THEORY; QUANTUM CALCULATION; THEORETICAL INVESTIGATIONS;

CARBON DIOXIDE; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN BONDS; MOLECULAR CRYSTALS; MOLECULAR DYNAMICS; ORGANIC ACIDS; SPECTROSCOPY; TOPOLOGY;

CRYSTAL STRUCTURE;

EID: 79953314049     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3567307     Document Type: Article

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