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Journal Abstract Search


667 related items for PubMed ID: 17540615

  • 1. 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
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  • 3. 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
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  • 5. 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
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  • 7. Molecular structure and vibrational bands and chemical shift assignments of 4-allyl-5-(2-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione by DFT and ab initio HF calculations.
    Karakurt T, Dinçer M, Cetin A, Sekerci M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep 15; 77(1):189-98. PubMed ID: 20542728
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  • 9. The molecular structure and vibrational spectra of N-(2,2-diphenylacetyl)-N'-(naphthalen-1yl)-thiourea by Hartree-Fock and density functional methods.
    Arslan H, Mansuroglu DS, Vanderveer D, Binzet G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Apr 15; 72(3):561-71. PubMed ID: 19097820
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  • 14. Structure validation of natural products by quantum-mechanical GIAO calculations of 13C NMR chemical shifts.
    Barone G, Gomez-Paloma L, Duca D, Silvestri A, Riccio R, Bifulco G.
    Chemistry; 2002 Jul 15; 8(14):3233-9. PubMed ID: 12203353
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  • 15. 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 01; 71(1):169-74. PubMed ID: 18242121
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  • 16. 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 01; 69(2):682-7. PubMed ID: 17613270
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  • 17. 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 31; 68(5):1347-55. PubMed ID: 17418631
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  • 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 31; 75(4):1362-9. PubMed ID: 20129819
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  • 19. Structural study of 2-(1-oxo-1 H-inden-3-yl)-2H-indene-1,3-dione by DFT calculations, NMR and IR spectroscopy.
    Riahi S, Ganjali MR, Moghaddam AB, Norouzi P, Hosseiny Davarani SS.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun 31; 70(1):94-8. PubMed ID: 17768082
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