Vibrational Spectra, NBO and NLO Analyses, and A Molecular Docking Study of 3a,8a-Dihydroxy-2-Thioxo-1,3,3a,8a-Tetrahydroindeno[1,2-d]Imidazol-8(2H)-One Using DFT-Reference-Cited by-同舟云学术

Vibrational Spectra, NBO and NLO Analyses, and A Molecular Docking Study of 3a,8a-Dihydroxy-2-Thioxo-1,3,3a,8a-Tetrahydroindeno[1,2-d]Imidazol-8(2H)-One Using DFT

Published:2018-09 Issue:5 Volume:59 Page:1078-1087
ISSN:0022-4766
Container-title:Journal of Structural Chemistry
language:en
Short-container-title:J Struct Chem

Author:

Hasan T.,Ghalib R. M.,Mehdi S. H.,Singh P. K.,Kumar A.,Misra N.

Publisher

Pleiades Publishing Ltd

Subject

Materials Chemistry,Inorganic Chemistry,Physical and Theoretical Chemistry

Link

http://link.springer.com/content/pdf/10.1134/S0022476618050098.pdf

Reference43 articles.

1. R. M. Ghalib, R. Hashim, S. F. Alshahateet, S. H. Mehdi, O. Sulaiman, V. Murugaiyah, and C. A. Aruldass. J. Mol. Struct., 2011, 1005, 152.

2. G. J. Alexander and N. Chatterjie. Res. Commun. Chem. Pathol. Pharmacol., 1980, 27, 45.

3. (a) M. H. Jamroz. Vibrational Energy Distribution Analysis., VEDA 4 Program. Warsaw., Poland, 2004

4. M. H. Jamroz. Spectrochim. Acta Part A, 2011, 114, 220.

5. A. Frisch, et al. Gaussian., Inc. GaussView Version 5.0.8., 2009.

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