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 *

218 related articles for article (PubMed ID: 22954314)

  • 21. Predicting the tautomeric equilibrium of acetylacetone in solution. I. The right answer for the wrong reason?
    Schlund S; Basílio Janke EM; Weisz K; Engels B
    J Comput Chem; 2010 Mar; 31(4):665-70. PubMed ID: 19557765
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. guanine: surprising stabilization of rare tautomers in aqueous solution.
    Hanus M; Ryjácek F; Kabelác M; Kubar T; Bogdan TV; Trygubenko SA; Hobza P
    J Am Chem Soc; 2003 Jun; 125(25):7678-88. PubMed ID: 12812509
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Ab initio molecular dynamics study of the keto-enol tautomerism of acetone in solution.
    Cucinotta CS; Ruini A; Catellani A; Stirling A
    Chemphyschem; 2006 Jun; 7(6):1229-34. PubMed ID: 16683282
    [TBL] [Abstract][Full Text] [Related]  

  • 24. DFT and AIM study of the protonation of nitrous acid and the pKa of nitrous acidium ion.
    Crugeiras J; Ríos A; Maskill H
    J Phys Chem A; 2011 Nov; 115(44):12357-63. PubMed ID: 21932823
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Ab-initio and density functional study of L- and D-forms of alanine and serine in gas phase and bulk aqueous medium.
    Upadhyay DM; Rai AK; Rai DK; Singh AN; Kumar A
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr; 66(4-5):909-18. PubMed ID: 16872882
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Tautomerism of Inosine in Water: Is It Possible?
    Markova N; Enchev V
    J Phys Chem B; 2019 Jan; 123(3):622-630. PubMed ID: 30604973
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Theoretical Determination of One-Electron Oxidation Potentials for Nucleic Acid Bases.
    Psciuk BT; Lord RL; Munk BH; Schlegel HB
    J Chem Theory Comput; 2012 Dec; 8(12):5107-23. PubMed ID: 26593200
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Addition reaction of adamantylideneadamantane with Br2 and 2Br2: a computational study.
    Islam SM; Poirier RA
    J Phys Chem A; 2008 Jan; 112(1):152-9. PubMed ID: 18069807
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Part 4. Uracil and thymine.
    Rejnek J; Hanus M; Kabelác M; Ryjácek F; Hobza P
    Phys Chem Chem Phys; 2005 May; 7(9):2006-17. PubMed ID: 19787906
    [TBL] [Abstract][Full Text] [Related]  

  • 31. The role of the HOOO(-) anion in the ozonation of alcohols: large differences in the gas-phase and in the solution-phase mechanism.
    Wu A; Cremer D; Plesnicar B
    J Am Chem Soc; 2003 Aug; 125(31):9395-402. PubMed ID: 12889970
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Pulsed laser photolysis and quantum chemical-statistical rate study of the reaction of the ethynyl radical with water vapor.
    Carl SA; Nguyen HM; Elsamra RM; Nguyen MT; Peeters J
    J Chem Phys; 2005 Mar; 122(11):114307. PubMed ID: 15836215
    [TBL] [Abstract][Full Text] [Related]  

  • 33. The amino group in adenine: MP2 and CCSD(T) complete basis set limit calculations of the planarization barrier and DFT/B3LYP study of the anharmonic frequencies of adenine.
    Zierkiewicz W; Komorowski L; Michalska D; Cerny J; Hobza P
    J Phys Chem B; 2008 Dec; 112(51):16734-40. PubMed ID: 19367910
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Theoretical study of the gas-phase reactions of iodine atoms ((2)P(3/2)) with H(2), H(2)O, HI, and OH.
    Canneaux S; Xerri B; Louis F; Cantrel L
    J Phys Chem A; 2010 Sep; 114(34):9270-88. PubMed ID: 20672845
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Computer simulation of trifluoromethane properties with ab initio force field.
    Chung YH; Li AH; Chao SD
    J Comput Chem; 2011 Aug; 32(11):2414-21. PubMed ID: 21598276
    [TBL] [Abstract][Full Text] [Related]  

  • 36. An ab initio study of intermolecular interactions of nitromethane dimer and nitromethane trimer.
    Li J; Zhao F; Jing F
    J Comput Chem; 2003 Feb; 24(3):345-52. PubMed ID: 12548726
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Density functional study on the reaction mechanism of proton transfer in 2-pyridone: effect of hydration and self-association.
    Fu A; Li H; Du D; Zhou Z
    J Phys Chem A; 2005 Feb; 109(7):1468-77. PubMed ID: 16833466
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Dimerization and double proton transfer-induced tautomerism of 4(3H)-pyrimidinone in solution studied by IR spectroscopy and quantum chemical calculations.
    Padermshoke A; Katsumoto Y; Aida M
    J Phys Chem B; 2006 Dec; 110(51):26388-95. PubMed ID: 17181298
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
    Li AH; Chao SD
    J Chem Phys; 2006 Sep; 125(9):094312. PubMed ID: 16965085
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Formaldehyde oxime <--> nitrosomethane tautomerism.
    Long JA; Harris NJ; Lammertsma K
    J Org Chem; 2001 Oct; 66(20):6762-7. PubMed ID: 11578232
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 11.