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 *

233 related articles for article (PubMed ID: 16392854)

  • 1. Thermochemical properties of HxNO molecules and ions from ab initio electronic structure theory.
    Dixon DA; Francisco JS; Alexeev Y
    J Phys Chem A; 2006 Jan; 110(1):185-91. PubMed ID: 16392854
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio prediction of the gas- and solution-phase acidities of strong Brønsted acids: the calculation of pKa values less than -10.
    Gutowski KE; Dixon DA
    J Phys Chem A; 2006 Nov; 110(43):12044-54. PubMed ID: 17064194
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Oxidation of hydroxylamine by nitrous and nitric acids. Model development from first principle SCRF calculations.
    Raman S; Ashcraft RW; Vial M; Klasky ML
    J Phys Chem A; 2005 Sep; 109(38):8526-36. PubMed ID: 16834250
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Fundamental thermochemical properties of amino acids: gas-phase and aqueous acidities and gas-phase heats of formation.
    Stover ML; Jackson VE; Matus MH; Adams MA; Cassady CJ; Dixon DA
    J Phys Chem B; 2012 Mar; 116(9):2905-16. PubMed ID: 22277062
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Ab initio procedure for aqueous-phase pKa calculation: the acidity of nitrous acid.
    da Silva G; Kennedy EM; Dlugogorski BZ
    J Phys Chem A; 2006 Oct; 110(39):11371-6. PubMed ID: 17004748
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Accuracy of the microsolvation-continuum approach in computing the pK(a) and the free energies of formation of phosphate species in aqueous solution.
    Tang E; Di Tommaso D; de Leeuw NH
    Phys Chem Chem Phys; 2010 Nov; 12(41):13804-15. PubMed ID: 20862433
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Identity proton-transfer reactions from C-H, N-H, and O-H acids. An ab initio, DFT, and CPCM-B3LYP aqueous solvent model study.
    Keeffe JR; Gronert S; Colvin ME; Tran NL
    J Am Chem Soc; 2003 Sep; 125(38):11730-45. PubMed ID: 13129378
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Aqueous solvation free energies of ions and ion-water clusters based on an accurate value for the absolute aqueous solvation free energy of the proton.
    Kelly CP; Cramer CJ; Truhlar DG
    J Phys Chem B; 2006 Aug; 110(32):16066-81. PubMed ID: 16898764
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 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. 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]  

  • 14. 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; 112(41):10386-98. PubMed ID: 18816037
    [TBL] [Abstract][Full Text] [Related]  

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

  • 16. 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]  

  • 17. 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]  

  • 18. Prediction of acidity in acetonitrile solution with COSMO-RS.
    Eckert F; Leito I; Kaljurand I; Kütt A; Klamt A; Diedenhofen M
    J Comput Chem; 2009 Apr; 30(5):799-810. PubMed ID: 18727157
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Thermochemistry of arylselanyl radicals and the pertinent ions in acetonitrile.
    Holm AH; Yusta L; Carlqvist P; Brinck T; Daasbjerg K
    J Am Chem Soc; 2003 Feb; 125(8):2148-57. PubMed ID: 12590543
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Microsolvation of thiosulfuric acid and its tautomeric anions [HSSO(3)](-) and [SSO(2)(OH)](-) studied by B3LYP-PCM and G3X(MP2) calculations.
    Steudel R; Steudel Y
    J Phys Chem A; 2009 Sep; 113(36):9920-33. PubMed ID: 19685866
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.