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 *

140 related articles for article (PubMed ID: 29558796)

  • 1. Theoretical Kinetic Study of the Unimolecular Keto-Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2-Butanol.
    Grajales-González E; Monge-Palacios M; Sarathy SM
    J Phys Chem A; 2018 Apr; 122(14):3547-3555. PubMed ID: 29558796
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab Initio, Transition State Theory, and Kinetic Modeling Study of the HO
    Monge-Palacios M; Grajales-González E; Sarathy SM
    J Phys Chem A; 2018 Dec; 122(51):9792-9805. PubMed ID: 30500199
    [TBL] [Abstract][Full Text] [Related]  

  • 3. An ab initio/Rice-Ramsperger-Kassel-Marcus prediction of rate constant and product branching ratios for unimolecular decomposition of propen-2-ol and related H + CH2COHCH2 reaction.
    Zhou CW; Li ZR; Liu CX; Li XY
    J Chem Phys; 2008 Dec; 129(23):234301. PubMed ID: 19102526
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Kinetics of Hydrogen Radical Reactions with Toluene Including Chemical Activation Theory Employing System-Specific Quantum RRK Theory Calibrated by Variational Transition State Theory.
    Bao JL; Zheng J; Truhlar DG
    J Am Chem Soc; 2016 Mar; 138(8):2690-704. PubMed ID: 26841076
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Biofuel combustion. Energetics and kinetics of hydrogen abstraction from carbon-1 in n-butanol by the hydroperoxyl radical calculated by coupled cluster and density functional theories and multistructural variational transition-state theory with multidimensional tunneling.
    Alecu IM; Zheng J; Papajak E; Yu T; Truhlar DG
    J Phys Chem A; 2012 Dec; 116(50):12206-13. PubMed ID: 23151032
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Thermal decomposition of 1-pentanol and its isomers: a theoretical study.
    Zhao L; Ye L; Zhang F; Zhang L
    J Phys Chem A; 2012 Sep; 116(37):9238-44. PubMed ID: 22909118
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Kinetic isotope effects for Cl + CH4 ⇌ HCl + CH3 calculated using ab initio semiclassical transition state theory.
    Barker JR; Nguyen TL; Stanton JF
    J Phys Chem A; 2012 Jun; 116(24):6408-19. PubMed ID: 22295940
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Kinetic modeling of methyl butanoate in shock tube.
    Huynh LK; Lin KC; Violi A
    J Phys Chem A; 2008 Dec; 112(51):13470-80. PubMed ID: 19035670
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Multichannel Gas-Phase Unimolecular Decomposition of Acetone: Theoretical Kinetic Studies.
    Saheb V; Zokaie M
    J Phys Chem A; 2018 Jul; 122(28):5895-5904. PubMed ID: 29897755
    [TBL] [Abstract][Full Text] [Related]  

  • 10. An ab initio Rice-Ramsperger-Kassel-Marcus/master equation investigation of SiH(4) decomposition kinetics using a kinetic Monte Carlo approach.
    Barbato A; Seghi C; Cavallotti C
    J Chem Phys; 2009 Feb; 130(7):074108. PubMed ID: 19239285
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Toluene combustion: reaction paths, thermochemical properties, and kinetic analysis for the methylphenyl radical + O2 reaction.
    da Silva G; Chen CC; Bozzelli JW
    J Phys Chem A; 2007 Sep; 111(35):8663-76. PubMed ID: 17696501
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Multistructural Anharmonicity Controls the Radical Generation Process in Biofuel Combustion.
    Xing L; Wang Z; Truhlar DG
    J Am Chem Soc; 2019 Nov; 141(46):18531-18543. PubMed ID: 31637914
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Chemical Kinetics of H-Atom Abstraction from Ethanol by HȮ
    Zhao Q; Zhang Y; Sun W; Deng F; Yang F; Huang Z
    J Phys Chem A; 2019 Feb; 123(5):971-982. PubMed ID: 30620599
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio and transition state theory study of the OH + HO
    Monge-Palacios M; Sarathy SM
    Phys Chem Chem Phys; 2018 Feb; 20(6):4478-4489. PubMed ID: 29372728
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Predicting pressure-dependent unimolecular rate constants using variational transition state theory with multidimensional tunneling combined with system-specific quantum RRK theory: a definitive test for fluoroform dissociation.
    Bao JL; Zhang X; Truhlar DG
    Phys Chem Chem Phys; 2016 Jun; 18(25):16659-70. PubMed ID: 27273734
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. 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]  

  • 18. The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study.
    Somers KP; Simmie JM; Metcalfe WK; Curran HJ
    Phys Chem Chem Phys; 2014 Mar; 16(11):5349-67. PubMed ID: 24496403
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An experimental and kinetic modeling study of the oxidation of the four isomers of butanol.
    Moss JT; Berkowitz AM; Oehlschlaeger MA; Biet J; Warth V; Glaude PA; Battin-Leclerc F
    J Phys Chem A; 2008 Oct; 112(43):10843-55. PubMed ID: 18828580
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Kinetics of the Hydrogen Abstraction from Carbon-3 of 1-Butanol by Hydroperoxyl Radical: Multi-Structural Variational Transition-State Calculations of a Reaction with 262 Conformations of the Transition State.
    Seal P; Papajak E; Truhlar DG
    J Phys Chem Lett; 2012 Jan; 3(2):264-71. PubMed ID: 26698116
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.