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.
146 related articles for article (PubMed ID: 37164004)
1. Comprehensive Theoretical Study on Four Typical Intramolecular Hydrogen Shift Reactions of Peroxy Radicals: Multireference Character, Recommended Model Chemistry, and Kinetics. Li Y; Wang Y; Zhang RM; He X; Xu X J Chem Theory Comput; 2023 Jun; 19(11):3284-3302. PubMed ID: 37164004 [TBL] [Abstract][Full Text] [Related]
2. 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]
3. The fate of the tert-butyl radical in low-temperature autoignition reactions. Moore KB; Turney JM; Schaefer HF J Chem Phys; 2017 May; 146(19):194304. PubMed ID: 28527438 [TBL] [Abstract][Full Text] [Related]
4. 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]
5. A kinetics study on hydrogen abstraction reactions of cyclopentane by hydrogen, methyl, and ethyl radicals. Chen W; Guo X; Chen L; Zhang R; Li Y; Feng H; Xu X; Zhang X Phys Chem Chem Phys; 2021 Mar; 23(12):7333-7342. PubMed ID: 33876093 [TBL] [Abstract][Full Text] [Related]
7. Investigating the kinetics of the intramolecular H-migration reaction class of methyl-ester peroxy radicals in low-temperature oxidation mechanisms of biodiesel. Li T; Li J; Chen S; Zhu Q; Li Z Phys Chem Chem Phys; 2023 Nov; 25(46):32078-32092. PubMed ID: 37982313 [TBL] [Abstract][Full Text] [Related]
8. Kinetics and branching fractions of the hydrogen abstraction reaction from methyl butenoates by H atoms. Li X; You X; Law CK; Truhlar DG Phys Chem Chem Phys; 2017 Jun; 19(25):16563-16575. PubMed ID: 28612859 [TBL] [Abstract][Full Text] [Related]
9. Benchmark Calculations for Bond Dissociation Enthalpies of Unsaturated Methyl Esters and the Bond Dissociation Enthalpies of Methyl Linolenate. Li X; Xu X; You X; Truhlar DG J Phys Chem A; 2016 Jun; 120(23):4025-36. PubMed ID: 27191950 [TBL] [Abstract][Full Text] [Related]
10. 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]
11. Thermal rate constants and kinetic isotope effects of the H + H Kano FG; de Carvalho EFV; Ferrão LFA; Machado FBC; Roberto-Neto O J Mol Model; 2024 Apr; 30(5):147. PubMed ID: 38662096 [TBL] [Abstract][Full Text] [Related]
13. Anharmonic kinetics of the cyclopentane reaction with hydroxyl radical. Wu J; Gao LG; Ren W; Truhlar DG Chem Sci; 2020 Jan; 11(9):2511-2523. PubMed ID: 34084417 [TBL] [Abstract][Full Text] [Related]
14. Do Practical Standard Coupled Cluster Calculations Agree Better than Kohn-Sham Calculations with Currently Available Functionals When Compared to the Best Available Experimental Data for Dissociation Energies of Bonds to 3d Transition Metals? Xu X; Zhang W; Tang M; Truhlar DG J Chem Theory Comput; 2015 May; 11(5):2036-52. PubMed ID: 26574408 [TBL] [Abstract][Full Text] [Related]
15. Direct Observation of Aliphatic Peroxy Radical Autoxidation and Water Effects: An Experimental and Theoretical Study. Nozière B; Vereecken L Angew Chem Int Ed Engl; 2019 Sep; 58(39):13976-13982. PubMed ID: 31361086 [TBL] [Abstract][Full Text] [Related]
17. 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]
18. Multireference Model Chemistries for Thermochemical Kinetics. Tishchenko O; Zheng J; Truhlar DG J Chem Theory Comput; 2008 Aug; 4(8):1208-19. PubMed ID: 26631697 [TBL] [Abstract][Full Text] [Related]
19. Components of the Bond Energy in Polar Diatomic Molecules, Radicals, and Ions Formed by Group-1 and Group-2 Metal Atoms. Yu H; Truhlar DG J Chem Theory Comput; 2015 Jul; 11(7):2968-83. PubMed ID: 26575734 [TBL] [Abstract][Full Text] [Related]
20. Chemistry of Simple Organic Peroxy Radicals under Atmospheric through Combustion Conditions: Role of Temperature, Pressure, and NO Goldman MJ; Green WH; Kroll JH J Phys Chem A; 2021 Dec; 125(48):10303-10314. PubMed ID: 34843244 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]