353 related articles for article (PubMed ID: 25262142)
1. Spectroscopic (FTIR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of 2-Benzylpyridine based on quantum chemical calculations.
Mathammal R; Sudha N; Guru Prasad L; Ganga N; Krishnakumar V
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():740-8. PubMed ID: 25262142
[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. 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]
4. 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]
5. 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]
6. 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]
7. 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]
8. Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis.
Karabacak M; Kose E; Atac A; Ali Cipiloglu M; Kurt M
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():892-908. PubMed ID: 22902933
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. The spectroscopic (FT-IR, FT-Raman, UV and NMR) first order hyperpolarizability and HOMO-LUMO analysis of dansyl chloride.
Karabacak M; Cinar M; Kurt M; Poiyamozhi A; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():234-44. PubMed ID: 23994679
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Electronic [UV-Visible] and vibrational [FT-IR, FT-Raman] investigation and NMR-mass spectroscopic analysis of terephthalic acid using quantum Gaussian calculations.
Karthikeyan N; Prince JJ; Ramalingam S; Periandy S
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():229-42. PubMed ID: 25561302
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. 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]
15. Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation, conformational stability, NLO properties, HOMO-LUMO and NBO analysis of hydroxyquinoline derivatives by density functional theory calculations.
Prabavathi N; Nilufer A; Krishnakumar V
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():449-74. PubMed ID: 23792240
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. 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]
18. Spectroscopic (FT-IR, FT-Raman, NMR and UV-Visible) and quantum chemical studies of molecular geometry, Frontier molecular orbital, NLO, NBO and thermodynamic properties of salicylic acid.
Suresh S; Gunasekaran S; Srinivasan S
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():130-41. PubMed ID: 24858354
[TBL] [Abstract][Full Text] [Related]
19. Molecular vibrational investigation [FT-IR, FT-Raman, UV-Visible and NMR] on Bis(thiourea) Nickel chloride using HF and DFT calculations.
Anand S; Sundararajan RS; Ramachandraraja C; Ramalingam S; Durga R
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():203-15. PubMed ID: 25498815
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
