282 related articles for article (PubMed ID: 25600681)
1. Electronic structure, vibrational spectral and intervening orbital interactions studies of NLO material: guanidinium 4-nitrobenzoate.
Sasikala V; Sajan D; Sabu KJ; Arumanayagam T; Murugakoothan P
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():555-72. PubMed ID: 25600681
[TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. Twisted intramolecular charge transfer and its contribution to the NLO activity of Diglycine Picrate: a vibrational spectroscopic study.
Alen S; Sajan D; Umadevi T; Němec I; Baburaj MS; Bena Jothy V; Selin Joy BH
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():720-31. PubMed ID: 25137250
[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. The spectroscopic (FT-IR, UV-vis), Fukui function, NLO, NBO, NPA and tautomerism effect analysis of (E)-2-[(2-hydroxy-6-methoxybenzylidene)amino]benzonitrile.
Demircioğlu Z; Kaştaş ÇA; Büyükgüngör O
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():539-48. PubMed ID: 25579656
[TBL] [Abstract][Full Text] [Related]
7. Study of conformational stability, structural, electronic and charge transfer properties of cladrin using vibrational spectroscopy and DFT calculations.
Singh S; Singh H; Srivastava A; Tandon P; Sinha K; Bharti P; Kumar S; Kumar P; Maurya R
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():615-28. PubMed ID: 24892542
[TBL] [Abstract][Full Text] [Related]
8. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods.
Rajamani T; Muthu S; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():186-96. PubMed ID: 23474478
[TBL] [Abstract][Full Text] [Related]
9. Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of 5-methyl-N-[4-(trifluoromethyl) phenyl]-isoxazole-4-carboxamide using density functional method.
Shahidha R; Muthu S; Elamurugu Porchelvi E; Govindarajan M
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():142-51. PubMed ID: 24858355
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. 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
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():538-49. PubMed ID: 24892532
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Synthesis, structural, spectroscopic studies, NBO analysis, NLO and HOMO-LUMO of 4-methyl-N-(3-nitrophenyl)benzene sulfonamide with experimental and theoretical approaches.
Sarojini K; Krishnan H; Kanakam CC; Muthu S
Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():159-70. PubMed ID: 23466326
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Growth, molecular structure, NBO analysis and vibrational spectral analysis of l-tartaric acid single crystal.
Sasikala V; Sajan D; Vijayan N; Chaitanya K; Babu Raj MS; Selin Joy BH
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 123():127-41. PubMed ID: 24394529
[TBL] [Abstract][Full Text] [Related]
16. Quantum chemical studies, vibrational analysis, molecular structure, first order hyper polarizability, NBO and HOMO-LUMO analysis of 3-hydroxybenzaldehyde and its cation.
Muthu S; Prasath M
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():789-99. PubMed ID: 23892343
[TBL] [Abstract][Full Text] [Related]
17. Spectroscopic studies, potential energy surface and molecular orbital calculations of pramipexole.
Muthu S; Uma Maheswari J; Srinivasan S; Isac paulraj E
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():64-73. PubMed ID: 23831980
[TBL] [Abstract][Full Text] [Related]
18. FT-IR and FT-Raman spectra, normal coordinate analysis and ab initio computations of Trimesic acid.
Mahalakshmi G; Balachandran V
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():535-47. PubMed ID: 24508892
[TBL] [Abstract][Full Text] [Related]
19. Molecular structure (monomeric and dimeric) and hydrogen bonds in 5-benzyl 2-thiohydantoin studied by FT-IR and FT-Raman spectroscopy and DFT calculations.
Deval V; Kumar A; Gupta V; Sharma A; Gupta A; Tandon P; Kunimoto KK
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():15-26. PubMed ID: 24845873
[TBL] [Abstract][Full Text] [Related]
20. Molecular structure, vibrational and electronic properties of 4-Phenyl-3H-1,3-thiazol-2-ol using density functional theory and comparison of drug efficacy of keto and enol forms by QSAR analysis.
Sachan AK; Pathak SK; Chand S; Srivastava R; Prasad O; Belaidi S; Sinha L
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():568-81. PubMed ID: 24892536
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
