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Journal Abstract Search

98 related items for PubMed ID: 9586022

  • 1. Three-dimensional structural analysis of avian-teratogenic pyrimidine dialkyl phosphate esters and their analogs by molecular orbital calculations.
    Eto M.
    Nucleic Acids Symp Ser; 1997; (37):107-8. PubMed ID: 9586022
    [Abstract] [Full Text] [Related]

  • 2. A comparative molecular field analysis (CoMFA) study using semiempirical, density functional, ab initio methods and pharmacophore derivation using DISCOtech on sigma 1 ligands.
    Jung D, Floyd J, Gund TM.
    J Comput Chem; 2004 Aug; 25(11):1385-99. PubMed ID: 15185333
    [Abstract] [Full Text] [Related]

  • 3. Teratogenicity of phenylhydantoins in an in vitro system: molecular orbital-generated quantitative structure-toxicity relationships.
    Brown LP, Lewis DF, Flint OP, Orton TC, Gibson GG.
    Xenobiotica; 1989 Dec; 19(12):1471-81. PubMed ID: 2618094
    [Abstract] [Full Text] [Related]

  • 4. An ab initio molecular orbital analysis of phosphorothioate mono-anion.
    Weltman JK.
    Anticancer Res; 2001 Dec; 21(2A):1195-8. PubMed ID: 11396163
    [Abstract] [Full Text] [Related]

  • 5. 1,2-Dibromoethyl-trichlorosilane (CH2BrCHBrSiCl3): conformational structure and vibrational properties by gas-phase electron diffraction, infrared and Raman spectroscopy, and ab initio molecular orbital and density functional theory calculations.
    Johansen TH, Hassler K, Richardson AD, Tekautz G, Hagen K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 May; 61(7):1307-19. PubMed ID: 15820864
    [Abstract] [Full Text] [Related]

  • 6. Conformational stability of cyclobutanol from temperature dependent infrared spectra of xenon solutions, r0 structural parameters, ab initio calculations and vibrational assignment.
    Durig JR, Ganguly A, El Defrawy AM, Gounev TK, Guirgis GA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec 15; 71(4):1379-89. PubMed ID: 18602334
    [Abstract] [Full Text] [Related]

  • 7. Heterogeneous reactions of pirimiphos-methyl and pirimicarb with NO3 radicals.
    Wang Y, Yang B, Zhang P, Zhang W, Liu C, Shu X, Shu J.
    J Phys Chem A; 2012 Nov 08; 116(44):10802-9. PubMed ID: 23083006
    [Abstract] [Full Text] [Related]

  • 8. Structural and spectroscopic studies on some chloropyrimidine derivatives by experimental and quantum chemical methods.
    Gupta VP, Sharma A, Virdi A, Ram V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 May 01; 64(1):57-67. PubMed ID: 16098792
    [Abstract] [Full Text] [Related]

  • 9. Construction of metal-organic oxides from molybdophosphonate clusters and copper-bipyrimidine building blocks.
    Armatas NG, Ouellette W, Whitenack K, Pelcher J, Liu H, Romaine E, O'Connor CJ, Zubieta J.
    Inorg Chem; 2009 Sep 21; 48(18):8897-910. PubMed ID: 19685900
    [Abstract] [Full Text] [Related]

  • 10. Teratogenic and antiteratogenic effects of nicotinamide derivatives in chick embryos.
    Uyeki EM, Doull J, Cheng CC, Misawa M.
    J Toxicol Environ Health; 1982 Sep 21; 9(5-6):963-73. PubMed ID: 6214641
    [Abstract] [Full Text] [Related]

  • 11. New molecular bioassays for the estimation of the teratogenic potency of valproic acid derivatives in vitro: activation of the peroxisomal proliferator-activated receptor (PPARdelta).
    Lampen A, Siehler S, Ellerbeck U, Göttlicher M, Nau H.
    Toxicol Appl Pharmacol; 1999 Nov 01; 160(3):238-49. PubMed ID: 10544058
    [Abstract] [Full Text] [Related]

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  • 13. Molecular and vibrational structure of 2-mercapto pyrimidine and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine: FT-IR, FT-Raman and quantum chemical calculations.
    Krishnakumar V, John Xavier R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Feb 01; 63(2):454-63. PubMed ID: 15990356
    [Abstract] [Full Text] [Related]

  • 14. Geometrical and vibrational features of phosphate, phosphorothioate and phosphorodithioate linkages interacting with hydrated cations: a DFT study.
    Dhaouadi Z, Nsangou M, Hernández B, Pflüger F, Liquier J, Ghomi M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep 01; 73(5):805-14. PubMed ID: 19442575
    [Abstract] [Full Text] [Related]

  • 15. Molecular orbital studies on brominated diphenyl ethers. Part I--conformational properties.
    Hu J, Eriksson L, Bergman A, Kolehmainen E, Knuutinen J, Suontamo R, Wei X.
    Chemosphere; 2005 May 01; 59(7):1033-41. PubMed ID: 15823337
    [Abstract] [Full Text] [Related]

  • 16. Anhydrous versus hydrated N4-substituted 1H-pyrazolo[3,4-d]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions.
    Trilleras J, Quiroga J, Cobo J, Marchal A, Nogueras M, Low JN, Glidewell C.
    Acta Crystallogr B; 2008 Oct 01; 64(Pt 5):610-22. PubMed ID: 18799849
    [Abstract] [Full Text] [Related]

  • 17. Semiempirical PM5 molecular orbital study on chlorophylls and bacteriochlorophylls: comparison of semiempirical, ab initio, and density functional results.
    Linnanto J, Korppi-Tommola J.
    J Comput Chem; 2004 Jan 15; 25(1):123-38. PubMed ID: 14635000
    [Abstract] [Full Text] [Related]

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  • 19. Biological activity predictions, crystallographic comparison and hydrogen bonding analysis of cholane derivatives.
    Rajnikant, Dinesh, Chand B.
    Indian J Biochem Biophys; 2007 Dec 15; 44(6):458-69. PubMed ID: 18320845
    [Abstract] [Full Text] [Related]

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