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 *

161 related articles for article (PubMed ID: 31637914)

  • 1. 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]  

  • 2. Degradation of Carbonyl Hydroperoxides in the Atmosphere and in Combustion.
    Xing L; Bao JL; Wang Z; Zhang F; Truhlar DG
    J Am Chem Soc; 2017 Nov; 139(44):15821-15835. PubMed ID: 29022349
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Comprehensive Multipath Variational Kinetics Study on Hydrogen Abstraction Reactions from Three Typical Dimethylcyclohexane Isomers by Hydroxyl Radicals: from the Electronic Structure to Model Applications.
    Yang M; Wang J
    J Phys Chem A; 2024 Jun; 128(22):4517-4531. PubMed ID: 38804972
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Multi-structural variational kinetics study on hydrogen abstraction reactions of cyclopentanol and cyclopentane by hydroperoxyl radical with anharmonicity, recrossing and tunneling effects.
    Yang M; Wang J
    Phys Chem Chem Phys; 2023 May; 25(18):12943-12960. PubMed ID: 37098872
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Multistructural variational transition state theory: kinetics of the hydrogen abstraction from carbon-2 of 2-methyl-1-propanol by hydroperoxyl radical including all structures and torsional anharmonicity.
    Xu X; Yu T; Papajak E; Truhlar DG
    J Phys Chem A; 2012 Nov; 116(43):10480-7. PubMed ID: 23020791
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Relative Rates of Hydrogen Shift Isomerizations Depend Strongly on Multiple-Structure Anharmonicity.
    Xing L; Bao JL; Wang Z; Wang X; Truhlar DG
    J Am Chem Soc; 2018 Dec; 140(50):17556-17570. PubMed ID: 30468384
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Kinetics of the Hydrogen Abstraction Reaction From 2-Butanol by OH Radical.
    Zheng J; Oyedepo GA; Truhlar DG
    J Phys Chem A; 2015 Dec; 119(50):12182-92. PubMed ID: 26348649
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Prediction of experimentally unavailable product branching ratios for biofuel combustion: the role of anharmonicity in the reaction of isobutanol with OH.
    Zheng J; Meana-Pañeda R; Truhlar DG
    J Am Chem Soc; 2014 Apr; 136(13):5150-60. PubMed ID: 24650093
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Multi-path variational transition state theory for chiral molecules: the site-dependent kinetics for abstraction of hydrogen from 2-butanol by hydroperoxyl radical, analysis of hydrogen bonding in the transition state, and dramatic temperature dependence of the activation energy.
    Bao JL; Meana-Pañeda R; Truhlar DG
    Chem Sci; 2015 Oct; 6(10):5866-5881. PubMed ID: 29861912
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Multistructural Variational Reaction Kinetics of the Simplest Unsaturated Methyl Ester: H-Abstraction from Methyl Acrylate by H, OH, CH
    Li W; Li J; Ning H; Shang Y; Luo SN
    J Phys Chem A; 2021 Jun; 125(23):5103-5116. PubMed ID: 34082530
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. 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]  

  • 14. Lowering of Reaction Rates by Energetically Favorable Hydrogen Bonding in the Transition State. Degradation of Biofuel Ketohydroperoxides by OH.
    Xing L; Lian L; Wang Z; Cheng Z; He Y; Cui J; Truhlar DG
    J Am Chem Soc; 2022 Sep; 144(37):16984-16995. PubMed ID: 36069709
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Low-temperature combustion chemistry of biofuels: pathways in the initial low-temperature (550 K-750 K) oxidation chemistry of isopentanol.
    Welz O; Zádor J; Savee JD; Ng MY; Meloni G; Fernandes RX; Sheps L; Simmons BA; Lee TS; Osborn DL; Taatjes CA
    Phys Chem Chem Phys; 2012 Mar; 14(9):3112-27. PubMed ID: 22286869
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Prenol as a Next-Generation Biofuel or Additive: A Comprehension of the Hydrogen Abstraction Reactions by a H Atom.
    Nascimento JL; Junior ASL; Alves TV
    J Phys Chem A; 2022 Jul; 126(29):4791-4800. PubMed ID: 35839446
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Kinetics of the Methanol Reaction with OH at Interstellar, Atmospheric, and Combustion Temperatures.
    Gao LG; Zheng J; Fernández-Ramos A; Truhlar DG; Xu X
    J Am Chem Soc; 2018 Feb; 140(8):2906-2918. PubMed ID: 29299932
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Multi-structural variational transition state theory: kinetics of the 1,5-hydrogen shift isomerization of the 1-butoxyl radical including all structures and torsional anharmonicity.
    Xu X; Papajak E; Zheng J; Truhlar DG
    Phys Chem Chem Phys; 2012 Mar; 14(12):4204-16. PubMed ID: 22354148
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Chemical kinetics of H-abstractions from dimethyl amine by H, CH
    Shang Y; Ning H; Shi J; Wang H; Luo SN
    Phys Chem Chem Phys; 2019 Jun; 21(23):12685-12696. PubMed ID: 31161175
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Path-dependent variational effects and multidimensional tunneling in multi-path variational transition state theory: rate constants calculated for the reactions of HO2 with tert-butanol by including all 46 paths for abstraction at C and all six paths for abstraction at O.
    Bao JL; Sripa P; Truhlar DG
    Phys Chem Chem Phys; 2016 Jan; 18(2):1032-41. PubMed ID: 26658549
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.