Ab initio study of the magneto-optical rotation of diastereoisomers

ChemPhysChem

Volumn 9, Issue 3, 2008, Pages 462-469

  Kula, Mathias ^a,b   Cappelli, Chiara ^c   Coriani, Sonia ^d,e   Rizzo, Antonio ^a  

^a AREA DELLA RICERCA   (Italy)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^c UNIVERSITY OF PISA   (Italy)

^d UNIVERSITY OF TRIESTE   (Italy)

^e UNIVERSITY OF OSLO   (Norway)

Author keywords

Chirality; Density functional calculations; Magnetic properties; Polarized spectroscopy; Quantum chemistry

Indexed keywords

CALCULATIONS; CHIRALITY; MAGNETIC PROPERTIES; NUMERICAL METHODS; OPTICAL ROTATION; QUANTUM CHEMISTRY; ROTATION; STEREOCHEMISTRY;

CONFORMATIONAL FLEXIBILITY; COUPLED-CLUSTER CALCULATIONS; DIASTEREOISOMERS; DIPOLE-DIPOLE INTERACTION MODEL; ELEMENTARY MODEL; MAGNETO-OPTICAL ROTATIONS; OPTICAL ACTIVITY; POLARIZED SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY;

EID: 40149085249     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200700650     Document Type: Article

References (29)