383 related articles for article (PubMed ID: 23305869)
1. Vibrational spectra, NMR and HOMO-LUMO analysis of 9-fluorenone-2-carboxylic acid.
Kandasamy M; Velraj G; Kalaichelvan S
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 105():176-83. PubMed ID: 23305869
[TBL] [Abstract][Full Text] [Related]
2. 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; 92():325-35. PubMed ID: 22446782
[TBL] [Abstract][Full Text] [Related]
3. Experimental spectroscopic (FTIR, FT-Raman, FT-NMR, UV-Visible) and DFT studies of 1-ethyl-1,4-dihydro-7-methyl-4oxo-1,8 napthyridine-3-carboxylic acids.
Muthu S; Elamurugu Porchelvi E
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Dec; 116():220-35. PubMed ID: 23948564
[TBL] [Abstract][Full Text] [Related]
4. 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]
5. The spectroscopic (FT-IR, FT-Raman and NMR), first order hyperpolarizability and HOMO-LUMO analysis of 2-mercapto-4(3H)-quinazolinone.
Prabavathi N; Senthil Nayaki N
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Aug; 129():572-83. PubMed ID: 24815813
[TBL] [Abstract][Full Text] [Related]
6. Molecular structure, intramolecular hydrogen bonding and vibrational spectral investigation of 2-fluoro benzamide--a DFT approach.
Krishnakumar V; Murugeswari K; Surumbarkuzhali N
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct; 114():410-20. PubMed ID: 23792236
[TBL] [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
[TBL] [Abstract][Full Text] [Related]
8. The spectroscopic (FTIR, FT-Raman, NMR and UV), first-order hyperpolarizability and HOMO-LUMO analysis of methylboronic acid.
Rani U; Karabacak M; Tanrıverdi O; Kurt M; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():67-77. PubMed ID: 22446752
[TBL] [Abstract][Full Text] [Related]
9. 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; 99():292-302. PubMed ID: 23085999
[TBL] [Abstract][Full Text] [Related]
10. An experimental and theoretical study of the vibrational spectra and structure of Isosorbide dinitrate.
Uma Maheswari J; Muthu S; Sundius T
Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 109():322-30. PubMed ID: 23557715
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. The spectroscopic (FT-IR, FT-Raman, (l3)C, (1)H NMR and UV) and NBO analyses of 4-bromo-1-(ethoxycarbonyl)piperidine-4-carboxylic acid.
Vitnik VD; Vitnik ŽJ
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():1-12. PubMed ID: 25434858
[TBL] [Abstract][Full Text] [Related]
13. 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]
14. Spectral analysis, vibrational assignments, NBO analysis, NMR, UV-Vis, hyperpolarizability analysis of 2-aminofluorene by density functional theory.
Jone Pradeepa S; Sundaraganesan N
Spectrochim Acta A Mol Biomol Spectrosc; 2014 May; 125():211-21. PubMed ID: 24556129
[TBL] [Abstract][Full Text] [Related]
15. 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; 92():154-63. PubMed ID: 22446762
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Quantum chemical and spectroscopic investigations of 5-aminoquinoline.
Arjunan V; Mohan S; Balamourougane PS; Ravindran P
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1215-23. PubMed ID: 19854675
[TBL] [Abstract][Full Text] [Related]
18. Molecular orbital studies (hardness, chemical potential and electrophilicity), vibrational investigation and theoretical NBO analysis of 4-4'-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based on abinitio and DFT methods.
Sheela NR; Muthu S; Sampathkrishnan S
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 120():237-51. PubMed ID: 24184626
[TBL] [Abstract][Full Text] [Related]
19. Spectroscopic (FT-IR/FT-Raman) and computational (HF/DFT) investigation and HOMO/LUMO/MEP analysis on 2-amino-4-chlorophenol.
Ramalingam S; Periandy S; Karabacak M; Karthikeyan N
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():337-51. PubMed ID: 23274261
[TBL] [Abstract][Full Text] [Related]
20. Spectroscopic, electronic structure and natural bond analysis of 2-aminopyrimidine and 4-aminopyrazolo[3,4-d]pyrimidine: a comparative study.
Prabavathi N; Nilufer A; Krishnakumar V; Akilandeswari L
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():226-41. PubMed ID: 22683558
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]