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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

198 related articles for article (PubMed ID: 16851391)

  • 61. New insight into selective catalytic reduction of nitrogen oxides by ammonia over H-form zeolites: a theoretical study.
    Li J; Li S
    Phys Chem Chem Phys; 2007 Jul; 9(25):3304-11. PubMed ID: 17579740
    [TBL] [Abstract][Full Text] [Related]  

  • 62. Oxygen adsorption on beta-cristobalite polymorph: ab initio modeling and semiclassical time-dependent dynamics.
    Rutigliano M; Zazza C; Sanna N; Pieretti A; Mancini G; Barone V; Cacciatore M
    J Phys Chem A; 2009 Dec; 113(52):15366-75. PubMed ID: 19845325
    [TBL] [Abstract][Full Text] [Related]  

  • 63. Water clusters on graphite: methodology for quantum chemical a priori prediction of reaction rate constants.
    Xu S; Irle S; Musaev DG; Lin MC
    J Phys Chem A; 2005 Oct; 109(42):9563-72. PubMed ID: 16866408
    [TBL] [Abstract][Full Text] [Related]  

  • 64. Pi and sigma-phenylethynyl radicals and their isomers o-, m-, and p-ethynylphenyl: structures, energetics, and electron affinities.
    Sreeruttun RK; Ramasami P; Wannere CS; Simmonett AC; Schaefer HF
    J Phys Chem A; 2008 Apr; 112(13):2838-45. PubMed ID: 18335906
    [TBL] [Abstract][Full Text] [Related]  

  • 65. Adsorption of O, H, OH, and H2O on Ag(100).
    Qin C; Whitten JL
    J Phys Chem B; 2005 May; 109(18):8852-6. PubMed ID: 16852052
    [TBL] [Abstract][Full Text] [Related]  

  • 66. Testing electronic structure methods for describing intermolecular H...H interactions in supramolecular chemistry.
    Casadesús R; Moreno M; González-Lafont A; Lluch JM; Repasky MP
    J Comput Chem; 2004 Jan; 25(1):99-105. PubMed ID: 14634997
    [TBL] [Abstract][Full Text] [Related]  

  • 67. 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; 49(4):833-46. PubMed ID: 19267473
    [TBL] [Abstract][Full Text] [Related]  

  • 68. Ionic hydrogen-bond networks and ion solvation. 1. An efficient Monte Carlo/quantum mechanical method for structural search and energy computations: ammonium/water.
    Zhao YL; Meot-Ner Mautner M; Gonzalez C
    J Phys Chem A; 2009 Mar; 113(12):2967-74. PubMed ID: 19243164
    [TBL] [Abstract][Full Text] [Related]  

  • 69. Strength of Calpha-H...O=C hydrogen bonds in transmembrane proteins.
    Park H; Yoon J; Seok C
    J Phys Chem B; 2008 Jan; 112(3):1041-8. PubMed ID: 18154287
    [TBL] [Abstract][Full Text] [Related]  

  • 70. A comparative study of semiempirical, ab initio, and DFT methods in evaluating metal-ligand bond strength, proton affinity, and interactions between first and second shell ligands in Zn-biomimetic complexes.
    Frison G; Ohanessian G
    J Comput Chem; 2008 Feb; 29(3):416-33. PubMed ID: 17631650
    [TBL] [Abstract][Full Text] [Related]  

  • 71. The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations.
    Vincent MA; Hillier IH; Morgado CA; Burton NA; Shan X
    J Chem Phys; 2008 Jan; 128(4):044313. PubMed ID: 18247955
    [TBL] [Abstract][Full Text] [Related]  

  • 72. An analytical potential energy function to model protonated peptide soft-landing experiments. The CH3NH3+/CH4 interactions.
    Deb B; Hu W; Song K; Hase WL
    Phys Chem Chem Phys; 2008 Aug; 10(31):4565-72. PubMed ID: 18665306
    [TBL] [Abstract][Full Text] [Related]  

  • 73. The prediction of (1)H chemical shifts in amines: a semiempirical and ab initio investigation.
    Basso EA; Gauze GF; Abraham RJ
    Magn Reson Chem; 2007 Sep; 45(9):749-57. PubMed ID: 17640030
    [TBL] [Abstract][Full Text] [Related]  

  • 74. Benchmark calculations on the adiabatic ionization potentials of M-NH(3) (M=Na,Al,Ga,In,Cu,Ag).
    Li S; Peterson KA; Dixon DA
    J Chem Phys; 2008 Apr; 128(15):154301. PubMed ID: 18433203
    [TBL] [Abstract][Full Text] [Related]  

  • 75. Ab initio study of hydrogen adsorption in MOF-5.
    Sillar K; Hofmann A; Sauer J
    J Am Chem Soc; 2009 Mar; 131(11):4143-50. PubMed ID: 19253977
    [TBL] [Abstract][Full Text] [Related]  

  • 76. Ab initio thermochemistry using optimal-balance models with isodesmic corrections: the ATOMIC protocol.
    Bakowies D
    J Chem Phys; 2009 Apr; 130(14):144113. PubMed ID: 19368435
    [TBL] [Abstract][Full Text] [Related]  

  • 77. Interaction of molecular nitrogen and oxygen with extraframework cations in zeolites with double six-membered rings of oxygen-bridged silicon and aluminum atoms: a DFT study.
    Mikosch H; Uzunova EL; St Nikolov G
    J Phys Chem B; 2005 Jun; 109(22):11119-25. PubMed ID: 16852356
    [TBL] [Abstract][Full Text] [Related]  

  • 78. Water adsorption on the stoichiometric (001) and (010) surfaces of hydroxyapatite: a periodic B3LYP study.
    Corno M; Busco C; Bolis V; Tosoni S; Ugliengo P
    Langmuir; 2009 Feb; 25(4):2188-98. PubMed ID: 19161264
    [TBL] [Abstract][Full Text] [Related]  

  • 79. Basis set limit coupled cluster study of h-bonded systems and assessment of more approximate methods.
    Boese AD; Martin JM; Klopper W
    J Phys Chem A; 2007 Nov; 111(43):11122-33. PubMed ID: 17929777
    [TBL] [Abstract][Full Text] [Related]  

  • 80. 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; 8(40):4678-84. PubMed ID: 17047766
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 10.