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Journal of Molecular Structure: THEOCHEM

Volumn 528, Issue 1-3, 2000, Pages 193-198

A density functional theory (DFT) calculation of the geometry and vibrational spectrum of natural product, ginkgolide B

(6) Zhu, Wei Liang a Puah, Chum Mok a Tan, Xiao Jian b Jiang, Hua Liang b Chen, Kai Xian b Ji, Ru Yuan b

a SINGAPORE POLYTECHNIC (Singapore)

b SHANGHAI INSTITUTE OF MATERIA MEDICA (China)

Author keywords

DFT B3LYP; Geometry; Ginkgolide B; IR spectrum; Quantum chemistry

Indexed keywords

ALCOHOL; CARBON; CARBONYL DERIVATIVE; GINKGOLIDE B; HYDROGEN; HYDROXYL GROUP; METHYL GROUP; NATURAL PRODUCT; OXYGEN;

ARTICLE; CALCULATION; CHEMICAL BOND; DENSITY; DRUG STRUCTURE; GEOMETRY; INFRARED SPECTROMETRY; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS; THEORY; THERMODYNAMICS; VIBRATION; X RAY CRYSTALLOGRAPHY;

EID: 0034714071 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(99)00485-6 Document Type: Article

Times cited : (15)

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