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 *

126 related articles for article (PubMed ID: 20334349)

  • 21. Dimers of and tautomerism between 2-pyrimidinethiol and 2(1H)-pyrimidinethione: a density functional theory (DFT) study.
    Freeman F; Po HN
    J Phys Chem A; 2006 Jun; 110(25):7904-12. PubMed ID: 16789779
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Conformational properties of 1-silyl-1-silacyclohexane, C(5)H(10)SiHSiH(3): gas electron diffraction, low-temperature NMR, temperature-dependent Raman spectroscopy, and quantum chemical calculations (&).
    Wallevik SO; Bjornsson R; Kvaran A; Jonsdottir S; Arnason I; Belyakov AV; Baskakov AA; Hassler K; Oberhammer H
    J Phys Chem A; 2010 Feb; 114(5):2127-35. PubMed ID: 20073516
    [TBL] [Abstract][Full Text] [Related]  

  • 23. 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; 111(4):734-42. PubMed ID: 17249766
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Concerning the reaction between singlet nitrenium ions and water: a computational investigation on competitive reaction paths.
    Facchini P; Grandinetti F
    J Comput Chem; 2003 Apr; 24(5):547-64. PubMed ID: 12632470
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Using force-matching to reveal essential differences between density functionals in ab initio molecular dynamics simulations.
    Izvekov S; Swanson JM
    J Chem Phys; 2011 May; 134(19):194109. PubMed ID: 21599046
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Reactivity of the "yl"-bond in uranyl(VI) complexes. 1. Rates and mechanisms for the exchange between the trans-dioxo oxygen atoms in (UO2)2(OH)2 2+ and mononuclear UO2(OH)n 2-n complexes with solvent water.
    Szabó Z; Grenthe I
    Inorg Chem; 2007 Oct; 46(22):9372-8. PubMed ID: 17887747
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Binding modes of oxalate in UO2(oxalate) in aqueous solution studied with first-principles molecular dynamics simulations. Implications for the chelate effect.
    Bühl M; Grenthe I
    Dalton Trans; 2011 Nov; 40(42):11192-9. PubMed ID: 21901192
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Mechanism of water exchange in aqueous uranyl(VI) ion. A density functional molecular dynamics study.
    Bühl M; Kabrede H
    Inorg Chem; 2006 May; 45(10):3834-6. PubMed ID: 16676935
    [TBL] [Abstract][Full Text] [Related]  

  • 29.
    Raymond O; Bühl M; Lane JR; Henderson W; Brothers PJ; Plieger PG
    Inorg Chem; 2020 Feb; 59(4):2413-2425. PubMed ID: 32017540
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Combined computational and experimental study of uranyl(VI) 1:2 complexation by aromatic acids.
    Wiebke J; Weigand A; Weissmann D; Glorius M; Moll H; Bernhard G; Dolg M
    Inorg Chem; 2010 Jul; 49(14):6428-35. PubMed ID: 20550140
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Modeling H-bonding and solvent effects in the alkylation of pyrimidine bases by a prototype quinone methide: a DFT study.
    Freccero M; Di Valentin C; Sarzi-Amadè M;
    J Am Chem Soc; 2003 Mar; 125(12):3544-53. PubMed ID: 12643716
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Car-Parrinello MD simulations for the Na+ -phenylalanine complex in aqueous solution.
    Costanzo F; Della Valle RG
    J Phys Chem B; 2008 Oct; 112(40):12783-9. PubMed ID: 18793011
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Oxidative reactivity difference among the metal oxo and metal hydroxo moieties: pH dependent hydrogen abstraction by a manganese(IV) complex having two hydroxide ligands.
    Yin G; Danby AM; Kitko D; Carter JD; Scheper WM; Busch DH
    J Am Chem Soc; 2008 Dec; 130(48):16245-53. PubMed ID: 18998682
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Structure and bonding in solution of dioxouranium(VI) oxalate complexes: isomers and intramolecular ligand exchange.
    Vallet V; Moll H; Wahlgren U; Szabó Z; Grenthe I
    Inorg Chem; 2003 Mar; 42(6):1982-93. PubMed ID: 12639133
    [TBL] [Abstract][Full Text] [Related]  

  • 35. 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]  

  • 36. 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]  

  • 37. Structure of a uranyl peroxo complex in aqueous solution from first-principles molecular dynamics simulations.
    Bühl M; Sieffert N; Wipff G
    Dalton Trans; 2014 Aug; 43(29):11129-37. PubMed ID: 24310370
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Pre-catalyst resting states: a kinetic, thermodynamic and quantum mechanical analyses of [PdCl2(2-oxazoline)2] complexes.
    Gossage RA; Jenkins HA; Jones ND; Jones RC; Yates BF
    Dalton Trans; 2008 Jun; (23):3115-22. PubMed ID: 18521454
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Intramolecular hydrogen bonding and cooperative interactions in carbohydrates via the molecular tailoring approach.
    Deshmukh MM; Bartolotti LJ; Gadre SR
    J Phys Chem A; 2008 Jan; 112(2):312-21. PubMed ID: 18085757
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Binding of pertechnetate to uranyl(VI) in aqueous solution. A density functional theory molecular dynamics study.
    Bühl M; Golubnychiy V
    Inorg Chem; 2007 Oct; 46(20):8129-31. PubMed ID: 17784755
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.