BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

126 related articles for article (PubMed ID: 19882733)

  • 1. Barrier heights for H-atom abstraction by H*O2 from n-butanol--a simple yet exacting test for model chemistries?
    Black G; Simmie JM
    J Comput Chem; 2010 Apr; 31(6):1236-48. PubMed ID: 19882733
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Hydrogen abstraction from n-butanol by the hydroxyl radical: high level ab initio study of the relative significance of various abstraction channels and the role of weakly bound intermediates.
    Moc J; Simmie JM
    J Phys Chem A; 2010 May; 114(17):5558-64. PubMed ID: 20380410
    [TBL] [Abstract][Full Text] [Related]  

  • 3. An assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzene.
    Hemelsoet K; Moran D; Van Speybroeck V; Waroquier M; Radom L
    J Phys Chem A; 2006 Jul; 110(28):8942-51. PubMed ID: 16836458
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Accurate benchmark calculation of the reaction barrier height for hydrogen abstraction by the hydroperoxyl radical from methane. Implications for C(n)H(2n+2) where n = 2 --> 4.
    Aguilera-Iparraguirre J; Curran HJ; Klopper W; Simmie JM
    J Phys Chem A; 2008 Jul; 112(30):7047-54. PubMed ID: 18610940
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Energy barriers for the addition of H, *CH3, and *C2H5 to *CH2=CHX [X = H, CH3, OH] and for H-atom addition to RCH=O [R = H, CH3, *C2H5, n-C3H7]: implications for the gas-phase chemistry of enols.
    Simmie JM; Curran HJ
    J Phys Chem A; 2009 Jul; 113(27):7834-45. PubMed ID: 19518123
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Benchmark database of barrier heights for heavy atom transfer, nucleophilic substitution, association, and unimolecular reactions and its use to test theoretical methods.
    Zhao Y; González-García N; Truhlar DG
    J Phys Chem A; 2005 Mar; 109(9):2012-8. PubMed ID: 16833536
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Hydrogen abstraction from n-butanol by the methyl radical: high level ab initio study of abstraction pathways and the importance of low energy rotational conformers.
    Katsikadakos D; Hardalupas Y; Taylor AM; Hunt PA
    Phys Chem Chem Phys; 2012 Jul; 14(27):9615-29. PubMed ID: 22692370
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Energetics of cresols and of methylphenoxyl radicals.
    Richard LS; Bernardes CE; Diogo HP; Leal JP; da Piedade ME
    J Phys Chem A; 2007 Sep; 111(35):8741-8. PubMed ID: 17691757
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Benchmark calculations of reaction energies, barrier heights, and transition-state geometries for hydrogen abstraction from methanol by a hydrogen atom.
    Pu J; Truhlar DG
    J Phys Chem A; 2005 Feb; 109(5):773-8. PubMed ID: 16838946
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Thermochemical properties, DeltafH degrees (298), S degrees (298), and Cp degrees (T), for n-butyl and n-pentyl hydroperoxides and the alkyl and peroxy radicals, transition states, and kinetics for intramolecular hydrogen shift reactions of the peroxy radicals.
    Zhu L; Bozzelli JW; Kardos LM
    J Phys Chem A; 2007 Jul; 111(28):6361-77. PubMed ID: 17585739
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Should contemporary density functional theory methods be used to study the thermodynamics of radical reactions?
    Izgorodina EI; Brittain DR; Hodgson JL; Krenske EH; Lin CY; Namazian M; Coote ML
    J Phys Chem A; 2007 Oct; 111(42):10754-68. PubMed ID: 17887739
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Reactions of hydrogen atom with hydrogen peroxide.
    Ellingson BA; Theis DP; Tishchenko O; Zheng J; Truhlar DG
    J Phys Chem A; 2007 Dec; 111(51):13554-66. PubMed ID: 18052356
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Intramolecular hydrogen bonding and hydrogen atom abstraction in gas-phase aliphatic amine radical cations.
    Hammerum S; Nielsen CB
    J Phys Chem A; 2005 Dec; 109(51):12046-53. PubMed ID: 16366660
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Thinking out of the black box: accurate barrier heights of 1,3-dipolar cycloadditions of ozone with acetylene and ethylene.
    Wheeler SE; Ess DH; Houk KN
    J Phys Chem A; 2008 Feb; 112(8):1798-807. PubMed ID: 18247512
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Theoretical study of the thermodynamics and kinetics of hydrogen abstractions from hydrocarbons.
    Vandeputte AG; Sabbe MK; Reyniers MF; Van Speybroeck V; Waroquier M; Marin GB
    J Phys Chem A; 2007 Nov; 111(46):11771-86. PubMed ID: 17966994
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Theoretical investigation of mechanisms for the gas-phase unimolecular decomposition of DMMP.
    Yang L; Shroll RM; Zhang J; Lourderaj U; Hase WL
    J Phys Chem A; 2009 Dec; 113(49):13762-71. PubMed ID: 19902938
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ab initio study of hydrogen-bond formation between aliphatic and phenolic hydroxy groups and selected amino acid side chains.
    Nagy PI; Erhardt PW
    J Phys Chem A; 2008 May; 112(18):4342-54. PubMed ID: 18373368
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 7.