1548 related articles for article (PubMed ID: 21190895)
1. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.
Krishnan AR; Saleem H; Subashchandrabose S; Sundaraganesan N; Sebastain S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):582-9. PubMed ID: 21190895
[TBL] [Abstract][Full Text] [Related]
2. 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
[TBL] [Abstract][Full Text] [Related]
3. 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
[TBL] [Abstract][Full Text] [Related]
4. The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-cysteine by ab inito HF and density functional method.
Chandra S; Saleem H; Sebastian S; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2011 May; 78(5):1515-24. PubMed ID: 21377921
[TBL] [Abstract][Full Text] [Related]
5. 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; 112():52-61. PubMed ID: 23659951
[TBL] [Abstract][Full Text] [Related]
6. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV-vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method.
Chaitanya K
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():159-73. PubMed ID: 22137747
[TBL] [Abstract][Full Text] [Related]
7. Vibrational spectroscopic study and NBO analysis on bis(4-amino-5-mercapto-1,2,4-triazol-3-yl) methane using DFT method.
Subashchandrabose S; Krishnan AR; Saleem H; Parameswari R; Sundaraganesan N; Thanikachalam V; Manikandan G
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Nov; 77(4):877-84. PubMed ID: 20832355
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Molecular structure, vibrational, UV and NBO analysis of 4-chloro-7-nitrobenzofurazan by DFT calculations.
Kurt M; Babu PC; Sundaraganesan N; Cinar M; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1162-70. PubMed ID: 21571581
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV) investigations of antiepileptic drug Ethosuximide.
Chamundeeswari SP; Samuel EJ; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):478-89. PubMed ID: 21943716
[TBL] [Abstract][Full Text] [Related]
12. Synthesis, spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2(2-Hydroxyphenyl)-N-(4-Methylphenyl) Nitrone.
Sheela NR; Sampathkrishnan S; Thirumalai Kumar M; Muthu S
Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 109():272-81. PubMed ID: 23542518
[TBL] [Abstract][Full Text] [Related]
13. Ab initio, density functional computations, FT-IR, FT-Raman and molecular geometry of 4-morpholine carbonitrile.
Xavier RJ; Raj SA
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Jan; 101():148-55. PubMed ID: 23099173
[TBL] [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; 108():186-96. PubMed ID: 23474478
[TBL] [Abstract][Full Text] [Related]
15. Conformational stability, the spectroscopic (FT-IR and UV), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 6,8-diphenylimidazo[1,2-α]pyrazine molecule by ab initio HF and density functional methods.
Sıdır İ; Sıdır YG; Kayagil İ
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct; 81(1):339-52. PubMed ID: 21782498
[TBL] [Abstract][Full Text] [Related]
16. Analysis of vibrational spectra of L-alanylglycine based on density functional theory calculations.
Padmaja L; Ravikumar C; James C; Jayakumar VS; Hubert Joe I
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):252-62. PubMed ID: 18243781
[TBL] [Abstract][Full Text] [Related]
17. 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
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. Vibrational spectra, NBO, HOMO-LUMO and conformational stability studies of 4-hydroxythiobenzamide.
Sambathkumar K
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Aug; 147():51-66. PubMed ID: 25827766
[TBL] [Abstract][Full Text] [Related]
20. Molecular structure, vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 2-aminobenzimidazole.
Sudha S; Karabacak M; Kurt M; Cinar M; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 84(1):184-95. PubMed ID: 21981941
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
