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361 related items for PubMed ID: 15268591

  • 1. Ab initio study of the reactions of Ga(2P, 2S, and 2P) with methane.
    Pacheco-Sanchez JH, Luna-Garcia H, Castillo S.
    J Chem Phys; 2004 Mar 01; 120(9):4240-6. PubMed ID: 15268591
    [Abstract] [Full Text] [Related]

  • 2. Ab initio study of the reactions of Ga((2)P, (2)S, and (2)P) with silane.
    Pacheco-Sánchez JH, Luna-García H, Castillo S.
    J Chem Phys; 2004 Sep 22; 121(12):5777-82. PubMed ID: 15367002
    [Abstract] [Full Text] [Related]

  • 3. Transition probabilities for the Au ((2)S, (2)D, and (2)P) with SiH(4) reaction.
    Pacheco-Sánchez JH, Luna-García HM, García-Cruz LM, Novaro O.
    J Chem Phys; 2010 Jan 28; 132(4):044301. PubMed ID: 20113027
    [Abstract] [Full Text] [Related]

  • 4. Ab initio study of the reaction of H2 with an AuPt3 cluster.
    Olvera-Neria O, Cruz A, Luna-García H, Anguiano-García A, Poulain E, Castillo S.
    J Chem Phys; 2005 Oct 22; 123(16):164302. PubMed ID: 16268692
    [Abstract] [Full Text] [Related]

  • 5. A theoretical approach to the photochemical activation of matrix isolated aluminum atoms and their reaction with methane.
    Pacheco-Blas MA, Novaro OA, Pacheco-Sánchez JH.
    J Chem Phys; 2010 Nov 07; 133(17):174307. PubMed ID: 21054032
    [Abstract] [Full Text] [Related]

  • 6. Multireference configuration interaction calculations for the F(2P)+HCl-->HF+Cl(2P) reaction: a correlation scaled ground state (1 2A') potential energy surface.
    Deskevich MP, Hayes MY, Takahashi K, Skodje RT, Nesbitt DJ.
    J Chem Phys; 2006 Jun 14; 124(22):224303. PubMed ID: 16784270
    [Abstract] [Full Text] [Related]

  • 7. Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO.
    Rössler N, Kotsis K, Staemmler V.
    Phys Chem Chem Phys; 2006 Feb 14; 8(6):697-706. PubMed ID: 16482309
    [Abstract] [Full Text] [Related]

  • 8. Ab initio potential energy surfaces of the ion-molecule reaction: C2H2 + O+.
    Fukuzawa K, Matsushita T, Morokuma K.
    J Chem Phys; 2004 Aug 15; 121(7):3117-29. PubMed ID: 15291622
    [Abstract] [Full Text] [Related]

  • 9. Spectroscopic evidence for a dinitrogen complex of gallium and estimation of the Ga-N2 bond strength.
    Himmel HJ, Hebben N.
    Chemistry; 2005 Jul 04; 11(14):4096-102. PubMed ID: 15861481
    [Abstract] [Full Text] [Related]

  • 10. A DFT-based analysis of the grossly varying reactivity pattern in room-temperature activation and dehydrogenation of CH4 by main-group atomic M+ (M=Ga, Ge, As, and Se).
    Zhang X, Schwarz H.
    Chemistry; 2009 Nov 02; 15(43):11559-65. PubMed ID: 19774572
    [Abstract] [Full Text] [Related]

  • 11. Quantum chemical study of adsorption and dissociation of H2S on the gallium-rich GaAs (001)-4 x 2 surface.
    Lu HL, Chen W, Ding SJ, Xu M, Zhang DW, Wang LK.
    J Phys Chem B; 2006 May 18; 110(19):9529-33. PubMed ID: 16686499
    [Abstract] [Full Text] [Related]

  • 12. Ab initio ground and excited state potential energy surfaces for NO-Kr complex and dynamics of Kr solids with NO impurity.
    Castro-Palacios JC, Rubayo-Soneira J, Ishii K, Yamashita K.
    J Chem Phys; 2007 Apr 07; 126(13):134315. PubMed ID: 17430040
    [Abstract] [Full Text] [Related]

  • 13. Potential energy surfaces for HenNe+ ions: ab initio and diatomics-in-molecule results.
    Seong J, Rohrbacher A, Li ZR, Janda KC, Tao FM, Spiegelman F, Halberstadt N.
    J Chem Phys; 2004 Apr 22; 120(16):7456-63. PubMed ID: 15267656
    [Abstract] [Full Text] [Related]

  • 14. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
    Ingels JB, Turney JM, Richardson NA, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Sep 14; 125(10):104306. PubMed ID: 16999525
    [Abstract] [Full Text] [Related]

  • 15. Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization.
    de Jong GT, Solà M, Visscher L, Bickelhaupt FM.
    J Chem Phys; 2004 Nov 22; 121(20):9982-92. PubMed ID: 15549873
    [Abstract] [Full Text] [Related]

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  • 17. The reaction of nitrogen atoms with methyl radicals: Are spin-forbidden channels important?
    Cimas A, Largo A.
    J Phys Chem A; 2006 Sep 21; 110(37):10912-20. PubMed ID: 16970389
    [Abstract] [Full Text] [Related]

  • 18. Thermal decomposition of trimethylgallium Ga(CH3)3: a shock-tube study and first-principles calculations.
    Fikri M, Makeich A, Rollmann G, Schulz C, Entel P.
    J Phys Chem A; 2008 Jul 17; 112(28):6330-7. PubMed ID: 18578466
    [Abstract] [Full Text] [Related]

  • 19. Potential energy surface and second virial coefficient of methane-water from ab initio calculations.
    Akin-Ojo O, Szalewicz K.
    J Chem Phys; 2005 Oct 01; 123(13):134311. PubMed ID: 16223292
    [Abstract] [Full Text] [Related]

  • 20. Experimental and theoretical investigations of the reactions NH(X 3Sigma-) + D(2S)-->ND(X 3Sigma-) + H(2S) and NH(X 3Sigma-) + D(2S)-->N(4S) + HD(X 1Sigmag+).
    Qu ZW, Zhu H, Schinke R, Adam L, Hack W.
    J Chem Phys; 2005 May 22; 122(20):204313. PubMed ID: 15945730
    [Abstract] [Full Text] [Related]

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