130 related articles for article (PubMed ID: 19010721)
1. Experimental, anticancer activity and density functional theory study on the vibrational spectra of 2-(4-fluorobenzylideneamino) propanoic acid.
Ruan M; Ye Y; Song Y; Zhang Q; Zhao Y
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Feb; 72(1):26-31. PubMed ID: 19010721
[TBL] [Abstract][Full Text] [Related]
2. Experimental and density functional theory and ab initio Hartree-Fock study on the vibrational spectra of 2-(4-fluorobenzylideneamino)-3-(4-hydroxyphenyl) propanoic acid.
Song YZ; Ruan M; Ye Y; Li YY; Xie W; Shen J; Shen AG
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Feb; 69(2):682-7. PubMed ID: 17613270
[TBL] [Abstract][Full Text] [Related]
3. Experimental and density functional theory and ab initio Hartree-Fock study on the vibrational spectra of 2-(4-fluorobenzylideneamino)-3-mercaptopropanoic acid.
Ye Y; Ruan M; Song Y; Li YY; Xie W
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Sep; 68(1):85-93. PubMed ID: 17267274
[TBL] [Abstract][Full Text] [Related]
4. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3-(6-benzoyl-2-oxobenzo[d]oxazol-3(2H)-yl)propanoic acid.
Arslan H; Algül O; Onkol T
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Aug; 70(3):606-14. PubMed ID: 17890142
[TBL] [Abstract][Full Text] [Related]
5. FT-IR, FT-Raman spectra and quantum chemical calculations of 3,4-dimethoxyaniline.
Sundaraganesan N; Priya M; Meganathan C; Joshua BD; Cornard JP
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):50-9. PubMed ID: 17765601
[TBL] [Abstract][Full Text] [Related]
6. FT-IR, FT-Raman spectra and quantum chemical calculations of some chloro substituted phenoxy acetic acids.
Sundaraganesan N; Meganathan C; Karthikeyan B
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jul; 70(2):430-8. PubMed ID: 18282793
[TBL] [Abstract][Full Text] [Related]
7. Molecular structure, spectroscopic studies (FTIR, FT-Raman and NMR) and HOMO-LUMO analysis of 6-chloro-o-cresol and 4-chloro-3-methyl phenol by density functional theoretical study.
Krishnakumar V; Kumar M; Prabavathi N; Mathammal R
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():144-54. PubMed ID: 22750683
[TBL] [Abstract][Full Text] [Related]
8. Density functional theory, comparative vibrational spectroscopic studies, HOMO-LUMO, first hyperpolarizability analyses of 2-fluoro 5-nitrotoluene and 2-bromo 5-nitrotoluene.
Krishnakumar V; Sangeetha R; Mathammal R; Barathi D
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():77-86. PubMed ID: 23266679
[TBL] [Abstract][Full Text] [Related]
9. Vibrational spectra and DFT study of anticancer active molecule 2-(4-Bromophenyl)-1H-benzimidazole by normal coordinate analysis.
Xavier TS; Rashid N; Joe IH
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):319-26. PubMed ID: 21030299
[TBL] [Abstract][Full Text] [Related]
10. Molecular structure, vibrational spectral studies of pyrazole and 3,5-dimethyl pyrazole based on density functional calculations.
Krishnakumar V; Jayamani N; Mathammal R
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1959-68. PubMed ID: 21703911
[TBL] [Abstract][Full Text] [Related]
11. Molecular structure and vibrational analysis of 3-Ethylpyridine using ab initio HF and density functional theory (B3LYP) calculations.
Shakila G; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):732-9. PubMed ID: 21183400
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. Anharmonic vibrational analysis of 3,4-diaminopyridine and 3-aminopyridine by density functional theory calculations.
Karpagam J; Sundaraganesan N; Kalaichelvan S; Sebastian S
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 76(5):502-12. PubMed ID: 20483656
[TBL] [Abstract][Full Text] [Related]
14. DFT simulations and vibrational analysis of FTIR and FT-Raman spectra of 2-amino-4-methyl benzonitrile.
Dheivamalar S; Silambarasan V
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():480-4. PubMed ID: 22728284
[TBL] [Abstract][Full Text] [Related]
15. Quantum chemical studies of FT-IR and Raman spectra of methyl 2,5-dichlorobenzoate.
Xuan X; Zhai C
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1663-8. PubMed ID: 21664860
[TBL] [Abstract][Full Text] [Related]
16. Experimental and theoretical spectroscopic studies of anticancer drug rosmarinic acid using HF and density functional theory.
Mariappan G; Sundaraganesan N; Manoharan S
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():340-51. PubMed ID: 22789527
[TBL] [Abstract][Full Text] [Related]
17. Micro-Raman, mid-IR, far-IR and DFT studies on 2-[4-(4-fluorobenzamido)phenyl]benzothiazole.
Unsalan O; Sert Y; Ari H; Simão A; Yilmaz A; Boyukata M; Bolukbasi O; Bolelli K; Yalcin I
Spectrochim Acta A Mol Biomol Spectrosc; 2014 May; 125():414-21. PubMed ID: 24568790
[TBL] [Abstract][Full Text] [Related]
18. A scaled quantum mechanical approach of vibrational analysis of o-tolunitrile based on FTIR and FT Raman spectra, ab initio, Hartree Fock and DFT methods.
Nagabalasubramanian PB; Periandy S; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec; 74(5):1280-7. PubMed ID: 19875327
[TBL] [Abstract][Full Text] [Related]
19. DFT and ab initio quantum chemical studies on p-cyanobenzoic acid.
Arjunan V; Rani T; Varalakshmy L; Mohan S; Tedlamelekot F
Spectrochim Acta A Mol Biomol Spectrosc; 2011 May; 78(5):1449-54. PubMed ID: 21349760
[TBL] [Abstract][Full Text] [Related]
20. 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]
[Next] [New Search]