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Journal Abstract Search

832 related items for PubMed ID: 17705356

  • 1.
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  • 2. Reactions of diborane with ammonia and ammonia borane: catalytic effects for multiple pathways for hydrogen release.
    Nguyen VS, Matus MH, Nguyen MT, Dixon DA.
    J Phys Chem A; 2008 Oct 09; 112(40):9946-54. PubMed ID: 18767778
    [Abstract] [Full Text] [Related]

  • 3. 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
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  • 5. The effect of the NH2 substituent on NH3: hydrazine as an alternative for ammonia in hydrogen release in the presence of boranes and alanes.
    Vinh-Son N, Swinnen S, Matus MH, Nguyen MT, Dixon DA.
    Phys Chem Chem Phys; 2009 Aug 14; 11(30):6339-44. PubMed ID: 19809664
    [Abstract] [Full Text] [Related]

  • 6. Molecular mechanism for H2 release from BH3NH3, including the catalytic role of the Lewis acid BH3.
    Nguyen MT, Nguyen VS, Matus MH, Gopakumar G, Dixon DA.
    J Phys Chem A; 2007 Feb 01; 111(4):679-90. PubMed ID: 17249759
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  • 7. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI, Erhardt PW.
    J Phys Chem A; 2008 May 08; 112(18):4342-54. PubMed ID: 18373368
    [Abstract] [Full Text] [Related]

  • 8. Isomers of the uracil dimer: an ab initio benchmark study.
    Frey JA, Müller A, Losada M, Leutwyler S.
    J Phys Chem B; 2007 Apr 05; 111(13):3534-42. PubMed ID: 17388514
    [Abstract] [Full Text] [Related]

  • 9. An ab initio benchmark study of hydrogen bonded formamide dimers.
    Frey JA, Leutwyler S.
    J Phys Chem A; 2006 Nov 16; 110(45):12512-8. PubMed ID: 17091957
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  • 10. The reaction of tricarbon with acetylene: an ab initio/RRKM study of the potential energy surface and product branching ratios.
    Mebel AM, Kim GS, Kislov VV, Kaiser RI.
    J Phys Chem A; 2007 Jul 26; 111(29):6704-12. PubMed ID: 17391012
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  • 12. Structures and heats of formation of the neutral and ionic PNO, NOP, and NPO systems from electronic structure calculations.
    Grant DJ, Dixon DA, Kemeny AE, Francisco JS.
    J Chem Phys; 2008 Apr 28; 128(16):164305. PubMed ID: 18447437
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  • 14. Thermodynamic properties of molecular borane phosphines, alane amines, and phosphine alanes and the [BH(4)(-)][PH(4)(+)], [AlH(4)(-)][NH(4)(+)], and [AlH(4)(-)][PH(4)(+)] salts for chemical hydrogen storage systems from ab initio electronic structure theory.
    Grant DJ, Dixon DA.
    J Phys Chem A; 2005 Nov 10; 109(44):10138-47. PubMed ID: 16838934
    [Abstract] [Full Text] [Related]

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  • 17. Computational investigation of the conrotatory and disrotatory isomerization channels of bicyclo[1.1.0]butane to buta-1,3-diene: a completely renormalized coupled-cluster study.
    Kinal A, Piecuch P.
    J Phys Chem A; 2007 Feb 01; 111(4):734-42. PubMed ID: 17249766
    [Abstract] [Full Text] [Related]

  • 18. Heats of formation of diphosphene, phosphinophosphinidene, diphosphine, and their methyl derivatives, and mechanism of the borane-assisted hydrogen release.
    Matus MH, Nguyen MT, Dixon DA.
    J Phys Chem A; 2007 Mar 08; 111(9):1726-36. PubMed ID: 17298044
    [Abstract] [Full Text] [Related]

  • 19. Water dimer radical cation: structures, vibrational frequencies, and energetics.
    Cheng Q, Evangelista FA, Simmonett AC, Yamaguchi Y, Schaefer HF.
    J Phys Chem A; 2009 Dec 10; 113(49):13779-89. PubMed ID: 19891464
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  • 20. Ab initio calculations on halogen-bonded complexes and comparison with density functional methods.
    Lu YX, Zou JW, Fan JC, Zhao WN, Jiang YJ, Yu QS.
    J Comput Chem; 2009 Apr 15; 30(5):725-32. PubMed ID: 18727160
    [Abstract] [Full Text] [Related]

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