Molecular structure, vibrational spectra and HOMO, LUMO analysis of yohimbine hydrochloride by density functional theory and ab initio Hartree-Fock calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 82, Issue 1, 2011, Pages 270-278

  Joshi, Bhawani Datt ^a   Srivastava, Anubha ^a   Tandon, Poonam ^a   Jain, Sudha ^a  

^a UNIVERSITY OF LUCKNOW   (India)

Author keywords

DFT calculation; HOMO; IR and UV spectra; LUMO; Raman; YHCl

Indexed keywords

CALCULATIONS; CONTINUUM MECHANICS; ETHANOL; MOLECULAR ORBITALS; ORGANIC SOLVENTS; ULTRAVIOLET SPECTROSCOPY;

DFT CALCULATION; HOMO; IR AND UV SPECTRA; LUMO; RAMAN; YHCL;

DENSITY FUNCTIONAL THEORY;

EID: 84962473588     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.07.047     Document Type: Article

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