These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
336 related articles for article (PubMed ID: 16987700)
1. Molecular structures and vibrational frequencies of 2-, 3- and 4-pyridine carboxaldehydes by ab initio Hartree-Fock and density functional theory calculations. Sağlam A; Ucun F; Güçlü V Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun; 67(2):465-71. PubMed ID: 16987700 [TBL] [Abstract][Full Text] [Related]
2. 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]
3. 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]
4. 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]
5. Molecular structure, IR and NMR spectra of 2,6 distyrylpyridine by density functional theory and ab initio Hartree-Fock calculations. Atalay Y; Başoğlu A; Avci D Spectrochim Acta A Mol Biomol Spectrosc; 2008 Feb; 69(2):460-6. PubMed ID: 17540615 [TBL] [Abstract][Full Text] [Related]
6. 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]
7. Density functional theory calculations of the internal rotations and vibrational spectra of 2-, 3- and 4-formyl pyridine. Umar Y Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jan; 71(5):1907-13. PubMed ID: 18799348 [TBL] [Abstract][Full Text] [Related]
8. 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]
9. Vibrational spectra and assignments of 2-amino-5-iodopyridine by ab initio Hartree-Fock and density functional methods. Sundaraganesan N; Meganathan C; Anand B; Joshua BD; Lapouge C Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jul; 67(3-4):830-6. PubMed ID: 17018261 [TBL] [Abstract][Full Text] [Related]
10. Vibrational spectrum and assignments of 2-(4-methoxyphenyl)-1H-benzo[d]imidazole by ab initio Hartree-Fock and density functional methods. Arslan H; Algül O Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):109-16. PubMed ID: 17728175 [TBL] [Abstract][Full Text] [Related]
11. 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]
12. 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]
13. 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]
14. An ab initio and DFT study of structure and vibrational spectra of disiloxane H3SiOSiH3 conformers. Comparison to experimental data. Carteret C; Labrosse A; Assfeld X Spectrochim Acta A Mol Biomol Spectrosc; 2007 Aug; 67(5):1421-9. PubMed ID: 17150406 [TBL] [Abstract][Full Text] [Related]
15. 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]
16. Molecular structure and vibrational and chemical shift assignments of 3-(2-hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-(4H)-thione by DFT and ab initio HF calculations. Avci D; Atalay Y; Sekerci M; Dinçer M Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(1):212-7. PubMed ID: 19264542 [TBL] [Abstract][Full Text] [Related]
17. 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]
18. Vibrational spectra and assignments of 3-aminobenzyl alcohol by ab initio Hartree-Fock and density functional method. Sundaraganesan N; Anand B; Meganathan C; Joshua BD; Saleem H Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jan; 69(1):198-204. PubMed ID: 17512242 [TBL] [Abstract][Full Text] [Related]
19. Ab initio Hartree-Fock and density functional theory study on molecular structures, energies, and vibrational frequencies of conformations of 2-hydroxy-3-nitropyridine and 3-hydroxy-2-nitropyridine. Ucun F; Güçlü V; Sağlam A Spectrochim Acta A Mol Biomol Spectrosc; 2008 Aug; 70(3):524-31. PubMed ID: 17822951 [TBL] [Abstract][Full Text] [Related]
20. Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 2-amino-5-methylphenol. Sundaraganesan N; Anand B; Joshua BD Spectrochim Acta A Mol Biomol Spectrosc; 2007 Jun; 67(2):550-8. PubMed ID: 16996297 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]