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1700 related items for PubMed ID: 21195659
1. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl. Sebastian S, Sundaraganesan N, Karthikeiyan B, Srinivasan V. Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):590-600. PubMed ID: 21195659 [Abstract] [Full Text] [Related]
7. 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 [Abstract] [Full Text] [Related]
8. The spectroscopic (FT-IR, FT-IR gas phase, FT-Raman and UV) and NBO analysis of 4-Hydroxypiperidine by density functional method. Sebastian S, Sundaraganesan N. Spectrochim Acta A Mol Biomol Spectrosc; 2010 Mar; 75(3):941-52. PubMed ID: 20056479 [Abstract] [Full Text] [Related]
11. Vibrational and electronic absorption spectral studies of 5-amino-1-(4-bromophenyl)-3-phenyl-1-H-pyrazole. Prasad MV, Chaitanya K, Udaya Sri N, Veeraiah V. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec; 99():379-89. PubMed ID: 23022613 [Abstract] [Full Text] [Related]
12. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 4-[(4-aminobenzene) sulfonyl] aniline by ab initio HF and density functional method. Muthu S, Maheswari JU. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun 15; 92():154-63. PubMed ID: 22446762 [Abstract] [Full Text] [Related]
13. Quantum mechanical and spectroscopic (FT-IR, 13C, 1H NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide. Vitnik VD, Vitnik ŽJ, Banjac NR, Valentić NV, Ušćumlić GS, Juranić IO. Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 03; 117():42-53. PubMed ID: 23981413 [Abstract] [Full Text] [Related]
14. 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 03; 108():186-96. PubMed ID: 23474478 [Abstract] [Full Text] [Related]
15. The spectroscopic (FTIR, FT-Raman and UV-Vis spectra), DFT and normal coordinate computations of m-nitromethylbenzoate. Gnanasambandan T, Gunasekaran S, Seshadri S. Spectrochim Acta A Mol Biomol Spectrosc; 2013 Aug 03; 112():52-61. PubMed ID: 23659951 [Abstract] [Full Text] [Related]
16. Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin. Prabavathi N, Nilufer A, Krishnakumar V. Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct 03; 114():101-13. PubMed ID: 23751224 [Abstract] [Full Text] [Related]
17. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), NBO and HOMO-LUMO analysis of 2-quinoxaline carboxylic acid. Prabavathi N, Nilufer A, Krishnakumar V. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun 15; 92():325-35. PubMed ID: 22446782 [Abstract] [Full Text] [Related]
18. 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. Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():604-20. PubMed ID: 24813291 [Abstract] [Full Text] [Related]
19. Structural, vibrational (FT-IR and FT-Raman) and UV-Vis spectral analysis of 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea by DFT method. Meganathan C, Sebastian S, Sivanesan I, Lee KW, Jeong BR, Oturak H, Sudha S, Sundaraganesan N. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Sep 15; 95():331-40. PubMed ID: 22561753 [Abstract] [Full Text] [Related]
20. Molecular structure, vibrational, UV, NMR, hyperpolarizability, NBO and HOMO-LUMO analysis of Pteridine2,4-dione. Prabavathi N, Nilufer A, Krishnakumar V. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec 15; 99():292-302. PubMed ID: 23085999 [Abstract] [Full Text] [Related] Page: [Next] [New Search]