X-ray and DFT study of glaucocalyxin a compound with cytotoxic activity

Chinese Journal of Chemical Physics

Volumn 22, Issue 3, 2009, Pages 275-284

  Wang, Fu Dong ^a,e   Wang, Tao ^b,d   Wu, An An ^b   Ding, Lan ^c   Wang, Han Qing ^a  

^a LANZHOU INSTITUTE OF CHEMICAL PHYSICS   (China)

^b XIAMEN UNIVERSITY   (China)

^c NORTHWEST NORMAL UNIVERSITY   (China)

^d HEZE UNIVERSITY   (China)

^e UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

Density functional theory; Glaucocalyxin A; Isodon excisoides; X ray structure

Indexed keywords

CONFORMATIONS; DENSITY FUNCTIONAL THEORY; ELECTROSTATICS; GEOMETRY; HYDROGEN BONDS; MOLECULAR INTERACTIONS; MOLECULAR OXYGEN; NUCLEAR MAGNETIC RESONANCE; ORBITAL CALCULATIONS; QUANTUM CHEMISTRY; SINGLE CRYSTALS;

GLAUCOCALYXIN A; INTRA- AND INTERMOLECULAR HYDROGEN BONDS; ISODON EXCISOIDES; MAGNETIC SHIELDING CONSTANT; MOLECULAR ELECTROSTATIC POTENTIALS; SINGLE CRYSTAL X-RAY DIFFRACTION; X RAY CRYSTAL STRUCTURES; X-RAY STRUCTURE;

CRYSTAL STRUCTURE;

EID: 69049093882     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-0068/22/03/275-284     Document Type: Article

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