Balachandran V - Search Results

1

Synthesis, crystal structures HOMO-LUMO analysis and DFT calculation of new complexes of p-substituted dibenzyltin chlorides and 1,10-phenanthroline.

Chandrasekar S, Balachandran V, Evans HS, Latha A. Chandrasekar S, et al. Among authors: balachandran v. Spectrochim Acta A Mol Biomol Spectrosc. 2015 May 15;143:136-46. doi: 10.1016/j.saa.2015.01.112. Epub 2015 Feb 9. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25725209

2

DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine.

Balachandran V, Mahalakshmi G, Lakshmi A, Janaki A. Balachandran V, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2012 Nov;97:1101-10. doi: 10.1016/j.saa.2012.07.112. Epub 2012 Aug 3. Spectrochim Acta A Mol Biomol Spectrosc. 2012. PMID: 22929905

3

Quantum mechanical study of the structure and vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizability, NBO and HOMO-LUMO studies of 4-bromo-3-nitroanisole.

Balachandran V, Karunakaran V. Balachandran V, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2013 Apr;106:284-98. doi: 10.1016/j.saa.2012.12.070. Epub 2013 Jan 23. Spectrochim Acta A Mol Biomol Spectrosc. 2013. PMID: 23416886

4

Vibrational (FT-IR and FT-Raman) spectra, NBO, HOMO-LUMO, Molecular electrostatic potential surface and computational analysis of 4-(trifluoromethyl)benzylbromide.

Karnan M, Balachandran V, Murugan M, Murali MK, Nataraj A. Karnan M, et al. Among authors: balachandran v. Spectrochim Acta A Mol Biomol Spectrosc. 2013 Dec;116:84-95. doi: 10.1016/j.saa.2013.06.120. Epub 2013 Jul 17. Spectrochim Acta A Mol Biomol Spectrosc. 2013. PMID: 23912046

5

Structural features of the 2-amino-5-nitrobenzophenone by means of vibrational spectroscopy HF and DFT, first order hyperpolarizability, NBO, HOMO-LUMO and theromodynamic properties.

Balachandran V, Santhi G, Karpagam V, Rastogi VK. Balachandran V, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jan 24;118:835-46. doi: 10.1016/j.saa.2013.09.071. Epub 2013 Oct 7. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24152867

6

Comparative thermodynamic properties, vibrational spectral studies, NBO and HOMO-LUMO analyses of 3-chloro-2,4,5,6-tetrafluoropyridine and 4-bromo-2,3,5,6-tetrafluoropyridine based on density functional theory.

Selvarani C, Balachandran V, Vishwanathan K. Selvarani C, et al. Among authors: balachandran v. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Nov 11;132:110-20. doi: 10.1016/j.saa.2014.03.117. Epub 2014 May 16. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24858352

7

Comparative vibrational spectroscopic studies, HOMO-LUMO, NBO analyses and thermodynamic functions of p-cresol and 2-methyl-p-cresol based on DFT calculations.

Balachandran V, Murugan M, Nataraj A, Karnan M, Ilango G. Balachandran V, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Nov 11;132:538-49. doi: 10.1016/j.saa.2014.04.194. Epub 2014 May 17. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24892532

8

NBO, HOMO, LUMO analysis and vibrational spectra (FTIR and FT Raman) of 1-Amino 4-methylpiperazine using ab initio HF and DFT methods.

Mahalakshmi G, Balachandran V. Mahalakshmi G, et al. Among authors: balachandran v. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Jan 25;135:321-34. doi: 10.1016/j.saa.2014.06.157. Epub 2014 Jul 8. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25084238

9

Spectroscopic investigation, natural bond orbital analysis, HOMO-LUMO and thermodynamic functions of 2-tert-butyl-5-methyl anisole using DFT (B3LYP) calculations.

Balachandran V, Santhi G, Karpagam V, Revathi B, Karabacak M. Balachandran V, et al. Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 5;136 Pt B:451-63. doi: 10.1016/j.saa.2014.09.057. Epub 2014 Sep 28. Spectrochim Acta A Mol Biomol Spectrosc. 2015. PMID: 25448946

10

Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.

Saravanan S, Balachandran V. Saravanan S, et al. Among authors: balachandran v. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Sep 15;130:604-20. doi: 10.1016/j.saa.2014.04.058. Epub 2014 Apr 20. Spectrochim Acta A Mol Biomol Spectrosc. 2014. PMID: 24813291

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