On the importance of vibrational contributions to small-angle optical rotation: Fluoro-oxirane in gas phase and solution

Journal of Chemical Physics

Volumn 130, Issue 3, 2009, Pages

  Pedersen, Thomas Bondo ^a   Kongsted, Jacob ^a   Crawford, T Daniel ^b   Ruud, Kenneth ^c  

^a LUND UNIVERSITY   (Sweden)

^b VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^c UNIVERSITY OF TROMSØ   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; CYCLOHEXANE; FULLERENES; GAS DYNAMICS; GASES; OPTICAL ROTATION; ORGANIC SOLVENTS; PROGRAMMING THEORY; ROTATION; SOLVENTS;

B3LYP FUNCTIONAL; CLUSTER SINGLES; DENSITY-FUNCTIONAL (DF); EQUILIBRIUM GEOMETRIES; GAS PHASE; OXIRANE; RESPONSE THEORY; ROOM-TEMPERATURE (RT);

DENSITY FUNCTIONAL THEORY;

EID: 58749116459     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3054301     Document Type: Article

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