318 related articles for article (PubMed ID: 25827766)
1. 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]
2. 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]
3. 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]
4. Vibrational spectroscopic study and NBO analysis on tranexamic acid using DFT method.
Muthu S; Prabhakaran A
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Aug; 129():184-92. PubMed ID: 24747330
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. 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]
7. A combined experimental and theoretical studies on FT-IR, FT-Raman and UV-vis spectra of 2-chloro-3-quinolinecarboxaldehyde.
Prasad MV; Udaya Sri N; Veeraiah V
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Sep; 148():163-74. PubMed ID: 25879986
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. Vibrational assignment, HOMO-LUMO and NBO analysis of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol by density functional theory.
Rajalakshmi K; Gunasekaran S; Kumaresan S
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():466-79. PubMed ID: 24813275
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. 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]
12. Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of L-Asparagine Monohydrate by Density Functional Theory approach.
Sylvestre S; Sebastian S; Edwin S; Amalanathan M; Ayyapan S; Jayavarthanan T; Oudayakumar K; Solomon S
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():190-200. PubMed ID: 24945859
[TBL] [Abstract][Full Text] [Related]
13. Conformational stability, vibrational spectra, molecular structure, NBO and HOMO-LUMO analysis of 5-nitro-2-furaldehyde oxime based on DFT calculations.
Arivazhagan M; Jeyavijayan S; Geethapriya J
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():14-25. PubMed ID: 23274252
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Spectroscopic (FTIR, FT-Raman), molecular electrostatic potential, NBO and HOMO-LUMO analysis of P-bromobenzene sulfonyl chloride based on DFT calculations.
Jeyavijayan S
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():890-9. PubMed ID: 25459613
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. 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]
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. 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; 117():42-53. PubMed ID: 23981413
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]
