Assignment of the molecular absolute configuration through the ab initio Hartree-Fock calculation of the optical rotation: Can the circular dichroism data help in reducing basis set requirements?

Journal of Organic Chemistry

Volumn 68, Issue 13, 2003, Pages 5186-5192

  Giorgio, Egidio ^a   Minichino, Camilla ^a   Viglione, Rosario G ^b   Zanasi, Riccardo ^b   Rosini, Carlo ^a  

^a UNIVERSITY OF BASILICATA   (Italy)

^b UNIVERSITY OF SALERNO   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; MOLECULES; ULTRAVIOLET RADIATION; UNSATURATED COMPOUNDS;

ORGANIC MOLECULES;

OPTICAL ROTATION;

AROMATIC COMPOUND; ORGANIC COMPOUND;

AB INITIO CALCULATION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CIRCULAR DICHROISM; ENERGY; OPTICAL ROTATION; ORGANIC CHEMISTRY; ULTRAVIOLET RADIATION;

EID: 0037534152     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo026867s     Document Type: Article

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