Coupled cluster calculations of optical rotatory dispersion of (S)-methyloxirane

Journal of Chemical Physics

Volumn 121, Issue 8, 2004, Pages 3550-3557

  Tam, Mary C ^a   Russ, Nicholas J ^a   Crawford, T Daniel ^a  

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

Author keywords

[No Author keywords available]

Indexed keywords

COUPLED CLUSTER CALCULATION; DENSITY FUNCTIONAL THEORY (DFT); LINEAR RESPONSE THEORY; OPTICAL ROTATORY DISPERSION (ORD) METHOD;

APPROXIMATION THEORY; DIFFUSION; DISPERSIONS; FUNCTIONS; HAMILTONIANS; MOLECULAR STRUCTURE; NUMERICAL METHODS; POLARIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RANDOM PROCESSES; TENSORS;

AROMATIC HYDROCARBONS;

EID: 4444383717     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1772352     Document Type: Article

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