Comparative study of vibrational spectra of two bioactive natural products lupeol and lupenone using MM/QM method

Spectroscopy (New York)

Volumn 27, Issue 3, 2012, Pages 155-166

  Dwivedi, Apoorva ^a   Pandey, Anoop Kumar ^a   Raj, Kanwal ^b   Misra, Neeraj ^a  

^a UNIVERSITY OF LUCKNOW   (India)

^b CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

FTIR and FT Raman spectra; Lupeol and Lupenone; Molecular structure; Oniom; Vibrational spectra

Indexed keywords

B3LYP/6-31G; BIOACTIVE MOLECULES; COMPARATIVE STUDIES; DYNAMICAL BEHAVIORS; EXPERIMENTAL VALUES; FTIR AND FT-RAMAN SPECTRA; INFRARED SPECTRUM; LUPEOL AND LUPENONE; NATURAL PRODUCTS; NORMAL MODE ANALYSIS; ONIOM; QUANTUM CHEMICAL CALCULATIONS; THEORETICAL STUDY; THERMODYNAMIC CALCULATIONS; TITLE COMPOUNDS; WAVE NUMBERS;

FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; QUANTUM CHEMISTRY; STRUCTURAL OPTIMIZATION;

VIBRATIONAL SPECTRA;

LUPENONE; LUPEOL; NATURAL PRODUCT; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; COMPARATIVE STUDY; DENSITY FUNCTIONAL THEORY; DRUG STRUCTURE; ELECTRON TRANSPORT; INFRARED SPECTROSCOPY; QUANTUM CHEMISTRY; THERMODYNAMICS;

EID: 84866416671     PISSN: 07124813     EISSN: 1875922X     Source Type: Journal    
DOI: 10.1155/2012/486304     Document Type: Article

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