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.
6. The Reaction between Bromine and the Water Dimer and the Highly Exothermic Reverse Reaction. Li G; Wang H; Li QS; Xie Y; Schaefer HF J Comput Chem; 2016 Jan; 37(2):177-82. PubMed ID: 26040856 [TBL] [Abstract][Full Text] [Related]
8. I + (H2O)2 → HI + (H2O)OH Forward and Reverse Reactions. CCSD(T) Studies Including Spin-Orbit Coupling. Wang H; Li G; Li QS; Xie Y; Schaefer HF J Phys Chem B; 2016 Mar; 120(8):1743-8. PubMed ID: 26562487 [TBL] [Abstract][Full Text] [Related]
9. Spin-orbit corrected potential energy surface features for the I ((2)P(3/2)) + H2O → HI + OH forward and reverse reactions. Hao Y; Gu J; Guo Y; Zhang M; Xie Y; Schaefer HF Phys Chem Chem Phys; 2014 Feb; 16(6):2641-6. PubMed ID: 24382520 [TBL] [Abstract][Full Text] [Related]
10. Pathways for the OH + Br2 → HOBr + Br and HOBr + Br → HBr + BrO Reactions. Wang H; Qiu Y; Schaefer HF J Phys Chem A; 2016 Feb; 120(5):805-16. PubMed ID: 26766412 [TBL] [Abstract][Full Text] [Related]
11. The exothermic HCl + OH·(H2O) reaction: removal of the HCl + OH barrier by a single water molecule. Li G; Wang H; Li QS; Xie Y; Schaefer HF J Chem Phys; 2014 Mar; 140(12):124316. PubMed ID: 24697450 [TBL] [Abstract][Full Text] [Related]
12. The reaction between the bromine atom and the water trimer: high level theoretical studies. Li G; Yao Y; Lin Y; Meng Y; Xie Y; Schaefer HF Phys Chem Chem Phys; 2022 Nov; 24(42):26164-26169. PubMed ID: 36278301 [TBL] [Abstract][Full Text] [Related]
13. The entrance complex, transition state, and exit complex for the F + H2O → HF + OH reaction. Definitive predictions. Comparison with popular density functional methods. Li G; Zhou L; Li QS; Xie Y; Schaefer HF Phys Chem Chem Phys; 2012 Aug; 14(31):10891-5. PubMed ID: 22781922 [TBL] [Abstract][Full Text] [Related]
15. Hydrogen bonding in neutral and cation dimers of H2Se with H2O, H2S, and H2Se. Joshi R; Ghanty TK; Mukherjee T; Naumov S J Phys Chem A; 2012 Dec; 116(48):11965-72. PubMed ID: 23134584 [TBL] [Abstract][Full Text] [Related]
16. Potential energy profile for the Cl + (H Li G; Yao Y; Lü S; Xie Y; Douberly GE; Schaefer HF Phys Chem Chem Phys; 2021 Dec; 23(47):26837-26842. PubMed ID: 34817485 [TBL] [Abstract][Full Text] [Related]
17. Communication: Some critical features of the potential energy surface for the Cl + H2O → HCl + OH forward and reverse reactions. Guo Y; Zhang M; Xie Y; Schaefer HF J Chem Phys; 2013 Jul; 139(4):041101. PubMed ID: 23901951 [TBL] [Abstract][Full Text] [Related]
18. F + (H2O)2 reaction: the second water removes the barrier. Li G; Li QS; Xie Y; Schaefer HF J Phys Chem A; 2013 Nov; 117(46):11979-82. PubMed ID: 23859477 [TBL] [Abstract][Full Text] [Related]
19. Probing the Potential Energy Profile of the I + (H Zhang X; Chen X; Lin Y; Meng Y; Li G; Xie Y; Schaefer HF Molecules; 2023 Jan; 28(2):. PubMed ID: 36677960 [TBL] [Abstract][Full Text] [Related]
20. Gas-phase kinetics study of reaction of OH radical with CH3NHNH2 by second-order multireference perturbation theory. Sun H; Zhang P; Law CK J Phys Chem A; 2012 May; 116(21):5045-56. PubMed ID: 22545789 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]