BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

526 related articles for article (PubMed ID: 16838934)

  • 1. 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; 109(44):10138-47. PubMed ID: 16838934
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Thermodynamic properties of molecular borane amines and the [BH4-][NH4+] salt for chemical hydrogen storage systems from ab initio electronic structure theory.
    Dixon DA; Gutowski M
    J Phys Chem A; 2005 Jun; 109(23):5129-35. PubMed ID: 16833867
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Thermodynamic properties of the C5, C6, and C8 n-alkanes from ab initio electronic structure theory.
    Pollack L; Windus TL; de Jong WA; Dixon DA
    J Phys Chem A; 2005 Aug; 109(31):6934-8. PubMed ID: 16834051
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Reliable predictions of the thermochemistry of boron-nitrogen hydrogen storage compounds: BxNxHy, x = 2, 3.
    Matus MH; Anderson KD; Camaioni DM; Autrey ST; Dixon DA
    J Phys Chem A; 2007 May; 111(20):4411-21. PubMed ID: 17444621
    [TBL] [Abstract][Full Text] [Related]  

  • 5. High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH).
    Lo PK; Lau KC
    J Phys Chem A; 2011 Feb; 115(5):932-9. PubMed ID: 21210670
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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; 111(9):1726-36. PubMed ID: 17298044
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The heats of formation of diazene, hydrazine, N2H3+, N2H5+, N2H, and N2H3 and the Methyl Derivatives CH3NNH, CH3NNCH3, and CH3HNNHCH3.
    Matus MH; Arduengo AJ; Dixon DA
    J Phys Chem A; 2006 Aug; 110(33):10116-21. PubMed ID: 16913686
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Accurate heats of formation of the "Arduengo-type" carbene and various adducts including H2 from ab initio molecular orbital theory.
    Dixon DA; Arduengo AJ
    J Phys Chem A; 2006 Feb; 110(5):1968-74. PubMed ID: 16451031
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Diammoniosilane: computational prediction of the thermodynamic properties of a potential chemical hydrogen storage system.
    Grant DJ; Arduengo AJ; Dixon DA
    J Phys Chem A; 2009 Jan; 113(4):750-5. PubMed ID: 19123851
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Heats of formation of the H1,2OmSn (m, n = 0-3) molecules from electronic structure calculations.
    Grant DJ; Dixon DA; Francisco JS; Feller D; Peterson KA
    J Phys Chem A; 2009 Oct; 113(42):11343-53. PubMed ID: 19780577
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.
    Kurtén T; Sundberg MR; Vehkamäki H; Noppel M; Blomqvist J; Kulmala M
    J Phys Chem A; 2006 Jun; 110(22):7178-88. PubMed ID: 16737269
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Heats of formation of boron hydride anions and dianions and their ammonium salts [BnHmy-][NH4+]y with y=1-2.
    Nguyen MT; Matus MH; Dixon DA
    Inorg Chem; 2007 Sep; 46(18):7561-70. PubMed ID: 17691770
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Accurate thermochemical properties for energetic materials applications. I. Heats of formation of nitrogen-containing heterocycles and energetic precursor molecules from electronic structure theory.
    Gutowski KE; Rogers RD; Dixon DA
    J Phys Chem A; 2006 Oct; 110(42):11890-7. PubMed ID: 17048822
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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; 11(30):6339-44. PubMed ID: 19809664
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Accurate energetics of small molecules containing third-row atoms Ga-Kr: a comparison of advanced ab initio and density functional theory.
    Yockel S; Mintz B; Wilson AK
    J Chem Phys; 2004 Jul; 121(1):60-77. PubMed ID: 15260523
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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; 128(16):164305. PubMed ID: 18447437
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Potential-energy surface for the electronic ground state of NH3 up to 20,000 cm-1 above equilibrium.
    Yurchenko SN; Zheng J; Lin H; Jensen P; Thiel W
    J Chem Phys; 2005 Oct; 123(13):134308. PubMed ID: 16223289
    [TBL] [Abstract][Full Text] [Related]  

  • 18. F+ and F⁻ affinities of simple N(x)F(y) and O(x)F(y) compounds.
    Grant DJ; Wang TH; Vasiliu M; Dixon DA; Christe KO
    Inorg Chem; 2011 Mar; 50(5):1914-25. PubMed ID: 21271710
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An ab initio benchmark study of hydrogen bonded formamide dimers.
    Frey JA; Leutwyler S
    J Phys Chem A; 2006 Nov; 110(45):12512-8. PubMed ID: 17091957
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Accurate ab initio predictions of ionization energies and heats of formation for the 2-propyl, phenyl, and benzyl radicals.
    Lau KC; Ng CY
    J Chem Phys; 2006 Jan; 124(4):044323. PubMed ID: 16460178
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 27.