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.
120 related articles for article (PubMed ID: 31034229)
1. Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. Part 5: Computational Study of Ethane Dissociation and Recombination Reactions C Wang CH; Panteleev SV; Masunov AE; Allison TC; Chang S; Lim C; Jin Y; Vasu SS J Phys Chem A; 2019 Jun; 123(22):4776-4784. PubMed ID: 31034229 [TBL] [Abstract][Full Text] [Related]
2. Molecular Dynamics of Combustion Reactions in Supercritical Carbon Dioxide. 6. Computational Kinetics of Reactions between Hydrogen Atom and Oxygen Molecule H + O Wang CH; Masunov AE; Allison TC; Chang S; Lim C; Jin Y; Vasu SS J Phys Chem A; 2019 Dec; 123(50):10772-10781. PubMed ID: 31820644 [TBL] [Abstract][Full Text] [Related]
3. Molecular dynamics of combustion reactions in supercritical carbon dioxide. Part 4: boxed MD study of formyl radical dissociation and recombination. Panteleev SV; Masunov AE; Vasu SS J Mol Model; 2019 Jan; 25(2):35. PubMed ID: 30631947 [TBL] [Abstract][Full Text] [Related]
4. Quantum Chemical Study of CH Masunov AE; Wait E; Vasu SS J Phys Chem A; 2017 Aug; 121(30):5681-5689. PubMed ID: 28722407 [TBL] [Abstract][Full Text] [Related]
5. Molecular Dynamics Study of Combustion Reactions in a Supercritical Environment. Part 2: Boxed MD Study of CO + OH → CO Panteleev SV; Masunov AE; Vasu SS J Phys Chem A; 2018 Feb; 122(4):897-908. PubMed ID: 29359563 [TBL] [Abstract][Full Text] [Related]
6. Molecular Dynamics Study of Combustion Reactions in Supercritical Environment. Part 3: Boxed MD Study of CH Panteleev SV; Masunov AE; Vasu SS J Phys Chem A; 2018 Apr; 122(13):3337-3345. PubMed ID: 29504747 [TBL] [Abstract][Full Text] [Related]
7. Quantum Chemical Study of Supercritical Carbon Dioxide Effects on Combustion Kinetics. Masunov AE; Wait EE; Atlanov AA; Vasu SS J Phys Chem A; 2017 May; 121(19):3728-3735. PubMed ID: 28471684 [TBL] [Abstract][Full Text] [Related]
8. Reaction Rate Constants of CH4(ads) ⇌ CH3(ads) + H(ads) on Ni(111): The Effect of Lattice Motion. Wang W; Zhao Y J Phys Chem A; 2015 Dec; 119(52):12953-61. PubMed ID: 26650500 [TBL] [Abstract][Full Text] [Related]
9. Chemical Reaction CO+OH(•) → CO2+H(•) Autocatalyzed by Carbon Dioxide: Quantum Chemical Study of the Potential Energy Surfaces. Masunov AE; Wait E; Vasu SS J Phys Chem A; 2016 Aug; 120(30):6023-8. PubMed ID: 27351778 [TBL] [Abstract][Full Text] [Related]
10. Direct measurements of rate constants for the reactions of CH3 radicals with C2H6, C2H4, and C2H2 at high temperatures. Peukert SL; Labbe NJ; Sivaramakrishnan R; Michael JV J Phys Chem A; 2013 Oct; 117(40):10228-38. PubMed ID: 23968575 [TBL] [Abstract][Full Text] [Related]
11. Ab initio studies of alkyl radical reactions: Combination and disproportionation reactions of CH3 with C2H5, and the decomposition of chemically activated C3H8. Zhu RS; Xu ZF; Lin MC J Chem Phys; 2004 Apr; 120(14):6566-73. PubMed ID: 15267548 [TBL] [Abstract][Full Text] [Related]
12. Mechanism, thermochemistry, and kinetics of the reversible reactions: C Nguyen TL; Bross DH; Ruscic B; Ellison GB; Stanton JF Faraday Discuss; 2022 Oct; 238(0):405-430. PubMed ID: 35786720 [TBL] [Abstract][Full Text] [Related]
15. Combined valence bond-molecular mechanics potential-energy surface and direct dynamics study of rate constants and kinetic isotope effects for the H + C2H6 reaction. Chakraborty A; Zhao Y; Lin H; Truhlar DG J Chem Phys; 2006 Jan; 124(4):044315. PubMed ID: 16460170 [TBL] [Abstract][Full Text] [Related]
16. Equilibrium properties of the reaction H2 ⇌ 2H by classical molecular dynamics simulations. Skorpa R; Simon JM; Bedeaux D; Kjelstrup S Phys Chem Chem Phys; 2014 Jan; 16(3):1227-37. PubMed ID: 24296986 [TBL] [Abstract][Full Text] [Related]
17. Reexamination of the Rehm-Weller data set reveals electron transfer quenching that follows a Sandros-Boltzmann dependence on free energy. Farid S; Dinnocenzo JP; Merkel PB; Young RH; Shukla D; Guirado G J Am Chem Soc; 2011 Aug; 133(30):11580-7. PubMed ID: 21736293 [TBL] [Abstract][Full Text] [Related]
18. Correcting Rate Constants from Anharmonic Molecular Dynamics for Quantum Effects. Schmalz F; Kopp WA; Kröger LC; Leonhard K ACS Omega; 2020 Feb; 5(5):2242-2253. PubMed ID: 32064385 [TBL] [Abstract][Full Text] [Related]