Quantum mechanical, spectroscopic study (FT-IR and FT - Raman), NBO analysis, HOMO-LUMO, first order hyperpolarizability and docking studies of a non-steroidal anti-inflammatory compound-Reference-Cited by-同舟云学术

Quantum mechanical, spectroscopic study (FT-IR and FT - Raman), NBO analysis, HOMO-LUMO, first order hyperpolarizability and docking studies of a non-steroidal anti-inflammatory compound

Published:2018-03 Issue: Volume:1156 Page:645-656
ISSN:0022-2860
Container-title:Journal of Molecular Structure
language:en
Short-container-title:Journal of Molecular Structure

Author:

Sakthivel S.,Alagesan T.,Muthu S.,Abraham Christina Susan,Geetha E.

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry

Reference70 articles.

1. The metabolic chiral inversion and dispositional enantio selectivity of the 2-arylpropionic acids and their biological consequences,Biochem;Caldwell;Pharmacol,1988

2. American Hospital Formulary Service - Drug Information,1993

3. Structural and spectral studies on 3-(6-benzoyl-5-chloro-2-benzoxazolinon-3-yl) propanoic acid;Arslan;Vib. Spec.,2007

4. Vib. Spec. investigation using ab initio and density functional theory analysis on the structure of 3-(6-benzoyl-2-oxobenzo[d]oxazol-3(2H)-yl) propanoic acid;Arslan;Spectrochim. Acta A,2008

5. Conformational study of ketoprofen by combined DFT calculations and Raman spectroscopy;Vueba;Int. J. Pharm.,2006

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