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.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

1244 related items for PubMed ID: 15549820

  • 1. Reaction pathways and free energy barriers for alkaline hydrolysis of insecticide 2-trimethylammonioethyl methylphosphonofluoridate and related organophosphorus compounds: electrostatic and steric effects.
    Xiong Y, Zhan CG.
    J Org Chem; 2004 Nov 26; 69(24):8451-8. PubMed ID: 15549820
    [Abstract] [Full Text] [Related]

  • 2. Polar group enhanced gas-phase acidities of carboxylic acids: an investigation of intramolecular electrostatic interaction.
    Ren J.
    J Phys Chem A; 2006 Dec 21; 110(50):13405-11. PubMed ID: 17165865
    [Abstract] [Full Text] [Related]

  • 3. Energy barriers for the addition of H, *CH3, and *C2H5 to *CH2=CHX [X = H, CH3, OH] and for H-atom addition to RCH=O [R = H, CH3, *C2H5, n-C3H7]: implications for the gas-phase chemistry of enols.
    Simmie JM, Curran HJ.
    J Phys Chem A; 2009 Jul 09; 113(27):7834-45. PubMed ID: 19518123
    [Abstract] [Full Text] [Related]

  • 4. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT, Matus MH, Jackson VE, Vu TN, Rustad JR, Dixon DA.
    J Phys Chem A; 2008 Oct 16; 112(41):10386-98. PubMed ID: 18816037
    [Abstract] [Full Text] [Related]

  • 5. Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches.
    Miyamoto S, Kollman PA.
    Proteins; 1993 Jul 16; 16(3):226-45. PubMed ID: 8346190
    [Abstract] [Full Text] [Related]

  • 6. 1,3 Geminal interactions as the possible trend setting factors for C-H and C-C bond energies in alkanes. Support from a density functional theory based bond energy decomposition study.
    Mitoraj M, Zhu H, Michalak A, Ziegler T.
    J Org Chem; 2006 Nov 24; 71(24):9208-11. PubMed ID: 17109549
    [Abstract] [Full Text] [Related]

  • 7. Evidence for the involvement of 5f orbitals in the bonding and reactivity of organometallic actinide compounds: thorium(IV) and uranium(IV) bis(hydrazonato) complexes.
    Cantat T, Graves CR, Jantunen KC, Burns CJ, Scott BL, Schelter EJ, Morris DE, Hay PJ, Kiplinger JL.
    J Am Chem Soc; 2008 Dec 24; 130(51):17537-51. PubMed ID: 19053455
    [Abstract] [Full Text] [Related]

  • 8. A theoretical study of the reaction mechanism and product branching ratios of C2H + C2H4 and related reactions on the C4H5 potential energy surface.
    Krishtal SP, Mebel AM, Kaiser RI.
    J Phys Chem A; 2009 Oct 22; 113(42):11112-28. PubMed ID: 19610595
    [Abstract] [Full Text] [Related]

  • 9. Ab initio and analytic intermolecular potentials for Ar-CH(3)OH.
    Tasić U, Alexeev Y, Vayner G, Crawford TD, Windus TL, Hase WL.
    Phys Chem Chem Phys; 2006 Oct 28; 8(40):4678-84. PubMed ID: 17047766
    [Abstract] [Full Text] [Related]

  • 10. Activation barriers and rate constants for hydration of platinum and palladium square-planar complexes: an ab initio study.
    Burda JV, Zeizinger M, Leszczynski J.
    J Chem Phys; 2004 Jan 15; 120(3):1253-62. PubMed ID: 15268251
    [Abstract] [Full Text] [Related]

  • 11. On the interaction of ionic detergents with lipid membranes. Thermodynamic comparison of n-alkyl-+N(CH₃)₃ and n-alkyl-SO₄⁻.
    Beck A, Li-Blatter X, Seelig A, Seelig J.
    J Phys Chem B; 2010 Dec 09; 114(48):15862-71. PubMed ID: 21067191
    [Abstract] [Full Text] [Related]

  • 12. Free-energy simulations of the retinal cis --> trans isomerization in bacteriorhodopsin.
    Hermone A, Kuczera K.
    Biochemistry; 1998 Mar 03; 37(9):2843-53. PubMed ID: 9485435
    [Abstract] [Full Text] [Related]

  • 13. Thermodynamic properties (enthalpy, bond energy, entropy, and heat capacity) and internal rotor potentials of vinyl alcohol, methyl vinyl ether, and their corresponding radicals.
    da Silva G, Kim CH, Bozzelli JW.
    J Phys Chem A; 2006 Jun 29; 110(25):7925-34. PubMed ID: 16789782
    [Abstract] [Full Text] [Related]

  • 14. Theoretical study of (CH...C)- hydrogen bonds in CH(4-n)X(n) (X = F, Cl; n = 0, 1, 2) systems complexed with their homoconjugate and heteroconjugate carbanions.
    Chandra AK, Zeegers-Huyskens T.
    J Phys Chem A; 2005 Dec 29; 109(51):12006-13. PubMed ID: 16366655
    [Abstract] [Full Text] [Related]

  • 15. Anomeric effect in "high energy" phosphate bonds. Selective destabilization of the scissile bond and modulation of the exothermicity of hydrolysis.
    Ruben EA, Plumley JA, Chapman MS, Evanseck JD.
    J Am Chem Soc; 2008 Mar 19; 130(11):3349-58. PubMed ID: 18302368
    [Abstract] [Full Text] [Related]

  • 16. Computational study of the thermochemistry of organophosphorus(III) compounds.
    Dorofeeva OV, Moiseeva NF.
    J Phys Chem A; 2006 Jul 20; 110(28):8925-32. PubMed ID: 16836456
    [Abstract] [Full Text] [Related]

  • 17. New selective haloform-type reaction yielding 3-hydroxy-2,2-difluoroacids: theoretical study of the mechanism.
    Olivella S, Solé A, Jiménez O, Bosch MP, Guerrero A.
    J Am Chem Soc; 2005 Mar 02; 127(8):2620-7. PubMed ID: 15725018
    [Abstract] [Full Text] [Related]

  • 18. Molecular orbital calculations of ring opening of the isoelectronic cyclopropylcarbinyl radical, cyclopropoxy radical, and cyclopropylaminium radical cation series of radical clocks.
    Cooksy AL, King HF, Richardson WH.
    J Org Chem; 2003 Nov 28; 68(24):9441-52. PubMed ID: 14629170
    [Abstract] [Full Text] [Related]

  • 19. Mechanistic aspects of propene epoxidation by hydrogen peroxide. Catalytic role of water molecules, external electric field, and zeolite framework of TS-1.
    Stare J, Henson NJ, Eckert J.
    J Chem Inf Model; 2009 Apr 28; 49(4):833-46. PubMed ID: 19267473
    [Abstract] [Full Text] [Related]

  • 20. Theoretical prediction of the heats of formation of C2H5O* radicals derived from ethanol and of the kinetics of beta-C-C scission in the ethoxy radical.
    Matus MH, Nguyen MT, Dixon DA.
    J Phys Chem A; 2007 Jan 11; 111(1):113-26. PubMed ID: 17201394
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 63.