Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution

Chemical Physics Letters

Volumn 401, Issue 4-6, 2005, Pages 385-392

  Kongsted, Jacob ^a   Pedersen, Thomas Bondo ^b   Strange, Mikkel ^a   Osted, Anders ^a   Hansen, Aage E ^a   Mikkelsen, Kurt V ^a   Pawlowski, Filip ^c   Jørgensen, Poul ^c   Hättig, Christof ^d  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b LUND UNIVERSITY   (Sweden)

^c AARHUS UNIVERSITY   (Denmark)

^d KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

LATTICE VIBRATIONS; OPTICAL ROTATION; SOLVENTS;

COUPLED CLUSTER METHODOLOGY; CYCLOHEXANE; DIELECTRIC CONTINUUM; GAS PHASE;

PROPYLENE;

CYCLOHEXANE; PROPYLENE OXIDE;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CLUSTER ANALYSIS; GAS; MATHEMATICAL ANALYSIS; OPTICAL ROTATION; THEORY; VIBRATION;

EID: 84961983540     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.11.082     Document Type: Article

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