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.
218 related articles for article (PubMed ID: 26278957)
1. Stress Test for Quantum Dynamics Approximations: Deep Tunneling in the Muonium Exchange Reaction D + HMu → DMu + H. Pérez de Tudela R; Suleimanov YV; Richardson JO; Sáez Rábanos V; Green WH; Aoiz FJ J Phys Chem Lett; 2014 Dec; 5(23):4219-24. PubMed ID: 26278957 [TBL] [Abstract][Full Text] [Related]
2. Chemical Reaction Rates from Ring Polymer Molecular Dynamics: Zero Point Energy Conservation in Mu + H2 → MuH + H. Pérez de Tudela R; Aoiz FJ; Suleimanov YV; Manolopoulos DE J Phys Chem Lett; 2012 Feb; 3(4):493-7. PubMed ID: 26286053 [TBL] [Abstract][Full Text] [Related]
4. A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction. Suleimanov YV; de Tudela RP; Jambrina PG; Castillo JF; Sáez-Rábanos V; Manolopoulos DE; Aoiz FJ Phys Chem Chem Phys; 2013 Mar; 15(10):3655-65. PubMed ID: 23385468 [TBL] [Abstract][Full Text] [Related]
5. Bimolecular reaction rates from ring polymer molecular dynamics: application to H + CH4 → H2 + CH3. Suleimanov YV; Collepardo-Guevara R; Manolopoulos DE J Chem Phys; 2011 Jan; 134(4):044131. PubMed ID: 21280711 [TBL] [Abstract][Full Text] [Related]
6. Direct simulation of electron transfer using ring polymer molecular dynamics: comparison with semiclassical instanton theory and exact quantum methods. Menzeleev AR; Ananth N; Miller TF J Chem Phys; 2011 Aug; 135(7):074106. PubMed ID: 21861555 [TBL] [Abstract][Full Text] [Related]
7. How to remove the spurious resonances from ring polymer molecular dynamics. Rossi M; Ceriotti M; Manolopoulos DE J Chem Phys; 2014 Jun; 140(23):234116. PubMed ID: 24952532 [TBL] [Abstract][Full Text] [Related]
8. Which Is Better at Predicting Quantum-Tunneling Rates: Quantum Transition-State Theory or Free-Energy Instanton Theory? Zhang Y; Stecher T; Cvitaš MT; Althorpe SC J Phys Chem Lett; 2014 Nov; 5(22):3976-80. PubMed ID: 26276480 [TBL] [Abstract][Full Text] [Related]
9. Communication: full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O. Allen JW; Green WH; Li Y; Guo H; Suleimanov YV J Chem Phys; 2013 Jun; 138(22):221103. PubMed ID: 23781774 [TBL] [Abstract][Full Text] [Related]
10. Theoretical kinetics study of the O(³P) + CH₄/CD₄ hydrogen abstraction reaction: the role of anharmonicity, recrossing effects, and quantum mechanical tunneling. Gonzalez-Lavado E; Corchado JC; Suleimanov YV; Green WH; Espinosa-Garcia J J Phys Chem A; 2014 May; 118(18):3243-52. PubMed ID: 24749673 [TBL] [Abstract][Full Text] [Related]
11. Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics. Li Y; Suleimanov YV; Li J; Green WH; Guo H J Chem Phys; 2013 Mar; 138(9):094307. PubMed ID: 23485294 [TBL] [Abstract][Full Text] [Related]
12. Ring-Polymer Molecular Dynamics Rate Coefficient Calculations for Insertion Reactions: X + H2 → HX + H (X = N, O). Li Y; Suleimanov YV; Guo H J Phys Chem Lett; 2014 Feb; 5(4):700-5. PubMed ID: 26270840 [TBL] [Abstract][Full Text] [Related]
13. Importance of anharmonicity, recrossing effects, and quantum mechanical tunneling in transition state theory with semiclassical tunneling. A test case: the H2 + Cl hydrogen abstraction reaction. Sansón JA; Sánchez ML; Corchado JC J Phys Chem A; 2006 Jan; 110(2):589-99. PubMed ID: 16405331 [TBL] [Abstract][Full Text] [Related]
14. Recrossing and Tunneling in the Kinetics Study of the OH + CH4 → H2O + CH3 Reaction. Suleimanov YV; Espinosa-Garcia J J Phys Chem B; 2016 Mar; 120(8):1418-28. PubMed ID: 25853403 [TBL] [Abstract][Full Text] [Related]
15. Simulations of the large kinetic isotope effect and the temperature dependence of the hydrogen atom transfer in lipoxygenase. Olsson MH; Siegbahn PE; Warshel A J Am Chem Soc; 2004 Mar; 126(9):2820-8. PubMed ID: 14995199 [TBL] [Abstract][Full Text] [Related]
16. Quantum rate coefficients and kinetic isotope effect for the reaction Cl + CH4 → HCl + CH3 from ring polymer molecular dynamics. Li Y; Suleimanov YV; Green WH; Guo H J Phys Chem A; 2014 Mar; 118(11):1989-96. PubMed ID: 24558961 [TBL] [Abstract][Full Text] [Related]
17. Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossing. Althorpe SC; Hele TJ J Chem Phys; 2013 Aug; 139(8):084115. PubMed ID: 24006982 [TBL] [Abstract][Full Text] [Related]
18. Kinetic isotope effects for the reactions of muonic helium and muonium with H2. Fleming DG; Arseneau DJ; Sukhorukov O; Brewer JH; Mielke SL; Schatz GC; Garrett BC; Peterson KA; Truhlar DG Science; 2011 Jan; 331(6016):448-50. PubMed ID: 21273484 [TBL] [Abstract][Full Text] [Related]
19. A ring polymer molecular dynamics study of the Cl + O3 reaction. de Tudela RP; Suleimanov YV; Menéndez M; Castillo JF; Aoiz FJ Phys Chem Chem Phys; 2014 Feb; 16(7):2920-7. PubMed ID: 24424851 [TBL] [Abstract][Full Text] [Related]