686 related articles for article (PubMed ID: 22765942)
1. Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of organic 2,4,5-trichloroaniline.
Govindarajan M; Karabacak M; Periandy S; Tanuja D
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():231-45. PubMed ID: 22765942
[TBL] [Abstract][Full Text] [Related]
2. FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule.
Muthu S; Elamurugu Porchelvi E
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():275-86. PubMed ID: 23845985
[TBL] [Abstract][Full Text] [Related]
3. Spectroscopic and quantum chemical analysis of Isonicotinic acid methyl ester.
Shoba D; Periandy S; Govindarajan M; Gayathri P
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():852-63. PubMed ID: 25459608
[TBL] [Abstract][Full Text] [Related]
4. Spectroscopic properties, NLO, HOMO-LUMO and NBO analysis of 2,5-Lutidine.
Govindarajan M; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():421-35. PubMed ID: 22722076
[TBL] [Abstract][Full Text] [Related]
5. Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations.
Mathammal R; Monisha NR; Yasaswini S; Krishnakumar V
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():521-32. PubMed ID: 25579654
[TBL] [Abstract][Full Text] [Related]
6. Vibrational analysis using FT-IR, FT-Raman spectra and HF-DFT methods and NBO, NLO, NMR, HOMO-LUMO, UV and electronic transitions studies on 2,2,4-trimethyl pentane.
Suvitha A; Periandy S; Govindarajan M; Gayathri P
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():900-12. PubMed ID: 25459692
[TBL] [Abstract][Full Text] [Related]
7. Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime.
Ramalingam S; Karabacak M; Periandy S; Puviarasan N; Tanuja D
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():207-20. PubMed ID: 22683556
[TBL] [Abstract][Full Text] [Related]
8. The spectroscopic (FT-IR, FT-Raman, dispersive Raman and NMR) study of ethyl-6-chloronicotinate molecule by combined density functional theory.
Karabacak M; Calisir Z; Kurt M; Kose E; Atac A
Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan; 153():754-70. PubMed ID: 26483317
[TBL] [Abstract][Full Text] [Related]
9. Vibrational frequency analysis, FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on pycolinaldehyde oxime.
Suvitha A; Periandy S; Boomadevi S; Govindarajan M
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():216-24. PubMed ID: 23994677
[TBL] [Abstract][Full Text] [Related]
10. NBO, HOMO-LUMO, UV, NLO, NMR and vibrational analysis of veratrole using FT-IR, FT-Raman, FT-NMR spectra and HF-DFT computational methods.
Suvitha A; Periandy S; Gayathri P
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():357-69. PubMed ID: 25514662
[TBL] [Abstract][Full Text] [Related]
11. FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline.
Arivazhagan M; Anitha Rexalin D
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():668-76. PubMed ID: 22885079
[TBL] [Abstract][Full Text] [Related]
12. Conformational analysis, spectroscopic study (FT-IR, FT-Raman, UV, 1H and 13C NMR), molecular orbital energy and NLO properties of 5-iodosalicylic acid.
Karaca C; Atac A; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():295-305. PubMed ID: 25448933
[TBL] [Abstract][Full Text] [Related]
13. An experimental and theoretical investigation of Acenaphthene-5-boronic acid: conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV spectra.
Karabacak M; Sinha L; Prasad O; Asiri AM; Cinar M
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():753-66. PubMed ID: 23892116
[TBL] [Abstract][Full Text] [Related]
14. Spectroscopic (FT-IR/FT-Raman) and computational (HF/DFT) investigation and HOMO/LUMO/MEP analysis on 2-amino-4-chlorophenol.
Ramalingam S; Periandy S; Karabacak M; Karthikeyan N
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():337-51. PubMed ID: 23274261
[TBL] [Abstract][Full Text] [Related]
15. DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid.
Karabacak M; Kose E; Sas EB; Kurt M; Asiri AM; Atac A
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():306-20. PubMed ID: 25448934
[TBL] [Abstract][Full Text] [Related]
16. Vibrational spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of 4-Methoxy-4'-Nitrobiphenyl by density functional theory.
Govindarasu K; Kavitha E
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar; 122():130-41. PubMed ID: 24299985
[TBL] [Abstract][Full Text] [Related]
17. Vibrational spectroscopic studies, NLO, HOMO-LUMO and electronic structure calculations of α,α,α-trichlorotoluene using HF and DFT.
Govindarajan M; Karabacak M; Periandy S; Xavier S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Aug; 94():53-64. PubMed ID: 22516115
[TBL] [Abstract][Full Text] [Related]
18. Molecular structure, vibrational spectra, natural bond orbital and thermodynamic analysis of 3,6-dichloro-4-methylpyridazine and 3,6-dichloropyridazine-4-carboxylic acid by dft approach.
Prabavathi N; Senthil Nayaki N; Venkatram Reddy B
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():1134-48. PubMed ID: 25459510
[TBL] [Abstract][Full Text] [Related]
19. Experimental (FT-IR, FT-Raman, UV and NMR) and quantum chemical studies on molecular structure, spectroscopic analysis, NLO, NBO and reactivity descriptors of 3,5-Difluoroaniline.
Pathak SK; Srivastava R; Sachan AK; Prasad O; Sinha L; Asiri AM; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():283-95. PubMed ID: 25078461
[TBL] [Abstract][Full Text] [Related]
20. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods.
Muthu S; Ramachandran G
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():394-403. PubMed ID: 24280302
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]