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.
273 related articles for article (PubMed ID: 17508728)
1. Computational studies of intramolecular hydrogen atom transfers in the beta-hydroxyethylperoxy and beta-hydroxyethoxy radicals. Kuwata KT; Dibble TS; Sliz E; Petersen EB J Phys Chem A; 2007 Jun; 111(23):5032-42. PubMed ID: 17508728 [TBL] [Abstract][Full Text] [Related]
2. Reaction-path dynamics and theoretical rate constants for the CH(n)F(4-n) + O3 --> HOOO + CH(n-1)F(4-n) (n = 2,3) reactions. Li QS; Yang J; Zhang S J Phys Chem A; 2006 Sep; 110(38):11113-9. PubMed ID: 16986845 [TBL] [Abstract][Full Text] [Related]
3. 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]
5. A dual-level ab initio and hybrid density functional theory dynamics study on the unimolecular decomposition reaction C2H5O-->CH2O + CH3. Zhang Y; Zhang S; Li QS J Comput Chem; 2004 Jan; 25(2):218-26. PubMed ID: 14648620 [TBL] [Abstract][Full Text] [Related]
6. Computational studies on the kinetics and mechanisms for NH3 reactions with ClOx (x = 0-4) radicals. Xu ZF; Lin MC J Phys Chem A; 2007 Feb; 111(4):584-90. PubMed ID: 17249747 [TBL] [Abstract][Full Text] [Related]
7. 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]
8. Formation of a Criegee intermediate in the low-temperature oxidation of dimethyl sulfoxide. Asatryan R; Bozzelli JW Phys Chem Chem Phys; 2008 Apr; 10(13):1769-80. PubMed ID: 18350182 [TBL] [Abstract][Full Text] [Related]
9. 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]
10. Association rate constants for reactions between resonance-stabilized radicals: C3H3 + C3H3, C3H3 + C3H5, and C3H5 + C3H5. Georgievskii Y; Miller JA; Klippenstein SJ Phys Chem Chem Phys; 2007 Aug; 9(31):4259-68. PubMed ID: 17687474 [TBL] [Abstract][Full Text] [Related]
11. Direct dynamics study on the reaction of acetaldehyde with ozone. Yang J; Li QS; Zhang S J Comput Chem; 2008 Jan; 29(2):247-55. PubMed ID: 17559074 [TBL] [Abstract][Full Text] [Related]
12. An ab initio study on thermal rearrangement reactions of 1-silylprop-2-en-1-ol H3SiCH(OH)CH=CH2. Yu Y; Feng S; Feng D J Phys Chem A; 2005 Apr; 109(16):3663-8. PubMed ID: 16839032 [TBL] [Abstract][Full Text] [Related]
13. Kinetic barriers of H-atom transfer reactions in alkyl, allylic, and oxoallylic radicals as calculated by composite ab initio methods. Hayes CJ; Burgess DR J Phys Chem A; 2009 Mar; 113(11):2473-82. PubMed ID: 19281146 [TBL] [Abstract][Full Text] [Related]
14. Kinetics of the hydrogen abstraction *CH3 + alkane --> CH4 + alkyl reaction class: an application of the reaction class transition state theory. Kungwan N; Truong TN J Phys Chem A; 2005 Sep; 109(34):7742-50. PubMed ID: 16834150 [TBL] [Abstract][Full Text] [Related]
15. High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomic hydrogen. Meana-Pañeda R; Truhlar DG; Fernández-Ramos A J Chem Phys; 2011 Mar; 134(9):094302. PubMed ID: 21384964 [TBL] [Abstract][Full Text] [Related]
16. Computational study of the reactions of methanol with the hydroperoxyl and methyl radicals. 2. Accurate thermal rate constants. Alecu IM; Truhlar DG J Phys Chem A; 2011 Dec; 115(51):14599-611. PubMed ID: 22059377 [TBL] [Abstract][Full Text] [Related]
17. Quantum chemical and master equation simulations of the oxidation and isomerization of vinoxy radicals. Kuwata KT; Hasson AS; Dickinson RV; Petersen EB; Valin LC J Phys Chem A; 2005 Mar; 109(11):2514-24. PubMed ID: 16833553 [TBL] [Abstract][Full Text] [Related]
18. Reactions between resonance-stabilized radicals: propargyl + allyl. Miller JA; Klippenstein SJ; Georgievskii Y; Harding LB; Allen WD; Simmonett AC J Phys Chem A; 2010 Apr; 114(14):4881-90. PubMed ID: 20121283 [TBL] [Abstract][Full Text] [Related]
19. Mechanism and energetics of intramolecular hydrogen transfer in amide and peptide radicals and cation-radicals. Turecek F; Syrstad EA J Am Chem Soc; 2003 Mar; 125(11):3353-69. PubMed ID: 12630891 [TBL] [Abstract][Full Text] [Related]
20. Direct dynamics study of hydrogen-transfer isomerization of 1-pentyl and 1-hexyl radicals. Zheng J; Truhlar DG J Phys Chem A; 2009 Oct; 113(43):11919-25. PubMed ID: 19610663 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]