Berberine alkaloid: Quantum chemical study of different forms by the DFT and MP2 methods

Chemical Physics Letters

Volumn 430, Issue 4-6, 2006, Pages 409-413

  Danilov, V I ^a   Dailidonis, V V ^b   Hovorun, D M ^a   Kurita, N ^c   Murayama, Y ^c   Natsume, T ^c   Potopalsky, A I ^a   Zaika, L A ^a  

^a INSTITUTE OF MOLECULAR BIOLOGY AND GENETICS   (Ukraine)

^b BOGOLYUBOV INSTITUTE FOR THEORETICAL PHYSICS   (Ukraine)

^c TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALOIDS; BOND ANGLES; HYDROXYL IONS; TAUTOMERS;

ALDEHYDES; CHEMICAL BONDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

NITROGEN COMPOUNDS;

EID: 33749557641     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.09.026     Document Type: Article

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