167 related articles for article (PubMed ID: 16095959)
1. Theoretical studies of molecular structure and vibrational spectra of 2-amino-5-phenyl-1,3,4-thiadiazole.
Atalay Y; Yakuphanoglu F; Sekerci M; Avci D; Başoğlu A
Spectrochim Acta A Mol Biomol Spectrosc; 2006 May; 64(1):68-72. PubMed ID: 16095959
[TBL] [Abstract][Full Text] [Related]
2. Vibrational spectra and molecular structure of chiral and racemic 4-phenyl-1,3-oxazolidin-2-one by density functional theory and ab initio Hartree-Fock calculations.
Atalay Y; Ucun F; Avci D; Başoğlu A
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Jun; 64(3):549-54. PubMed ID: 16442841
[TBL] [Abstract][Full Text] [Related]
3. Theoretical studies of molecular structure and vibrational spectra of melaminium citrate.
Atalay Y; Avci D
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun; 67(2):327-33. PubMed ID: 16965934
[TBL] [Abstract][Full Text] [Related]
4. The molecular structure and vibrational spectra of 1-amino-5-benzoyl-4-phenylpyrimidin-2(1H) by Hartree-Fock and density functional methods.
Atalay Y; Yakuphanoglu F; Sekerci M
Spectrochim Acta A Mol Biomol Spectrosc; 2006 Nov; 65(3-4):964-8. PubMed ID: 16682250
[TBL] [Abstract][Full Text] [Related]
5. The molecular structure and vibrational spectra of 3-acetyl-4-[N-(2'-aminopyridinyl)-3-amino]-3-buten-2-one by Hartree-Fock and density functional theory calculations.
Feki H; Fourati N; Abid Y; Minot C
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Aug; 67(5):1201-5. PubMed ID: 17113822
[TBL] [Abstract][Full Text] [Related]
6. A theoretical study on 1-(thiophen-2-yl-methyl)-2-(thiophen-2-yl)-1H-benzimidazole.
Sekerci M; Atalay Y; Yakuphanoglu F; Avci D; Başoğlu A
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun; 67(2):503-8. PubMed ID: 17142090
[TBL] [Abstract][Full Text] [Related]
7. Molecular structure and vibrational assignment of melaminium phthalate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations.
Tarcan E; Altindağ O; Avci D; Atalay Y
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):169-74. PubMed ID: 18242121
[TBL] [Abstract][Full Text] [Related]
8. Theoretical studies of molecular structure and vibrational spectra of O-ethyl benzoylthiocarbamate.
Arslan H; Flörke U; Külcü N
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):936-43. PubMed ID: 17049302
[TBL] [Abstract][Full Text] [Related]
9. FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study.
Karabacak M; Karagöz D; Kurt M
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jun; 72(5):1076-83. PubMed ID: 19213598
[TBL] [Abstract][Full Text] [Related]
10. A theoretical study on N-phenyl-N'-(2-thienylmethylene)hydrazine.
Yakuphanoglu F; Atalay Y; Sekerci M
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Feb; 66(2):438-41. PubMed ID: 16859978
[TBL] [Abstract][Full Text] [Related]
11. Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree-Fock and density functional theory calculations.
Ucun F; Sağlam A; Güçlü V
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun; 67(2):342-9. PubMed ID: 16942910
[TBL] [Abstract][Full Text] [Related]
12. Quantum chemical computations of 1,3-phenylenediacetic acid.
Gökce H; Bahçeli S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):803-8. PubMed ID: 21212016
[TBL] [Abstract][Full Text] [Related]
13. The molecular structure and vibrational spectra of 2-chloro-N-(diethylcarbamothioyl)benzamide by Hartree-Fock and density functional methods.
Arslan H; Flörke U; Külcü N; Binzet G
Spectrochim Acta A Mol Biomol Spectrosc; 2007 Dec; 68(5):1347-55. PubMed ID: 17418631
[TBL] [Abstract][Full Text] [Related]
14. Density functional theory study on the structure and vibrational frequencies of glycylglycine.
Zhao B; Wang C; Zhao S; Qin M; Zhou Z; Sun Y
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jul; 70(2):301-6. PubMed ID: 17919969
[TBL] [Abstract][Full Text] [Related]
15. Molecular structure, vibrational and chemical shift assignments of 8-hydroxy-1-methylquinolinium iodide hydrate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations.
Atalay Y; Avci D; Başoğlu A
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(3):760-5. PubMed ID: 18358768
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. HF and DFT studies of the structure and vibrational spectra of 8-hydroxyquinoline and its mercury(II) halide complexes.
Arici K; Yurdakul M; Yurdakul S
Spectrochim Acta A Mol Biomol Spectrosc; 2005 Jan; 61(1-2):37-43. PubMed ID: 15556418
[TBL] [Abstract][Full Text] [Related]
18. Ab initio Hartree-Fock and density functional theory study on characterization of 3-(5-methylthiazol-2-yldiazenyl)-2-phenyl-1H-indole.
Buyukuslu H; Akdogan M; Yildirim G; Parlak C
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Apr; 75(4):1362-9. PubMed ID: 20129819
[TBL] [Abstract][Full Text] [Related]
19. Theoretical studies of molecular structure and vibrational spectra of melaminium acetate acetic acid solvate monohydrate.
Pekparlak A; Avci D; Cömert H; Atalay Y
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Oct; 77(3):696-702. PubMed ID: 20692201
[TBL] [Abstract][Full Text] [Related]
20. The spectroscopic (FTIR, FT-IR gas phase and FT-Raman), first order hyperpolarizabilities, NMR analysis of 2,4-dichloroaniline by ab initio HF and density functional methods.
Sundaraganesan N; Karpagam J; Sebastian S; Cornard JP
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(1):11-9. PubMed ID: 19251476
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]