Determination of absolute configuration using ab initio calculation of optical rotation

Chirality

Volumn 15, Issue SUPPL., 2003, Pages

  Stephens, P J ^a   Devlin, F J ^a   Cheeseman, J R ^b   Frisch, M J ^b   Bortolini, O ^c   Besse, P ^d  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b GAUSSIAN INC   (United States)

^c UNIVERSITY OF FERRARA   (Italy)

^d UNIVERSITÉ CLERMONT AUVERGNE   (France)

Author keywords

Absolute configuration; Density functional theory; Optical rotation

Indexed keywords

2 (1 HYDROXYETHYL)CHROMEN 4 ONE; 2 BROMOPHENYLGLYCIDIC ACID METHYL ESTER; 2H NAPHTHO[1,8 BC]THIOPHENE 1 OXIDE; 3 FLUOROPHENYLGLYCIDIC ACID METHYL ESTER; 4 METHYLPHENYLGLYCIDIC ACID METHYL ESTER; 6 BROMO 2 (1 HYDROXYETHYL)CHROMEN 4 ONE; CHROMENE DERIVATIVE; ESTER DERIVATIVE; THIOPHENE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; CHEMICAL STRUCTURE; CHIRALITY; CONFERENCE PAPER; DIPOLE; ENERGY; OPTICAL ROTATION; PRIORITY JOURNAL; X RAY CRYSTALLOGRAPHY;

EID: 0041663820     PISSN: 08990042     EISSN: None     Source Type: Journal    
DOI: 10.1002/chir.10270     Document Type: Conference Paper

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