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.
157 related articles for article (PubMed ID: 26796292)
1. Density Functional and Kinetic Monte Carlo Study of Cu-Catalyzed Cross-Dehydrogenative Coupling Reaction of Thiazoles with THF. Cai Y; Zhang S; Xue Y; Jiang J; Chen ZX J Org Chem; 2016 Mar; 81(5):1806-12. PubMed ID: 26796292 [TBL] [Abstract][Full Text] [Related]
2. Theoretical investigations on Rh(III)-catalyzed cross-dehydrogenative aryl-aryl coupling via C-H bond activation. Zhao D; Li X; Han K; Li X; Wang Y J Phys Chem A; 2015 Mar; 119(12):2989-97. PubMed ID: 25693049 [TBL] [Abstract][Full Text] [Related]
3. Cu-catalyzed cross-dehydrogenative coupling reactions of (benzo)thiazoles with cyclic ethers. Xie Z; Cai Y; Hu H; Lin C; Jiang J; Chen Z; Wang L; Pan Y Org Lett; 2013 Sep; 15(17):4600-3. PubMed ID: 23967877 [TBL] [Abstract][Full Text] [Related]
4. The mechanism of transition-metal (Cu or Pd)-catalyzed synthesis of benzimidazoles from amidines: theoretical investigation. Li J; Gu H; Wu C; Du L Dalton Trans; 2014 Nov; 43(44):16769-79. PubMed ID: 25278296 [TBL] [Abstract][Full Text] [Related]
5. Theoretical study of the ammonia nitridation rate on an Fe (100) surface: a combined density functional theory and kinetic Monte Carlo study. Yeo SC; Lo YC; Li J; Lee HM J Chem Phys; 2014 Oct; 141(13):134108. PubMed ID: 25296785 [TBL] [Abstract][Full Text] [Related]
6. Multiscale Modeling of the Atomic Layer Deposition of HfO2 Thin Film Grown on Silicon: How to Deal with a Kinetic Monte Carlo Procedure. Dkhissi A; Estève A; Mastail C; Olivier S; Mazaleyrat G; Jeloaica L; Djafari Rouhani M J Chem Theory Comput; 2008 Nov; 4(11):1915-27. PubMed ID: 26620335 [TBL] [Abstract][Full Text] [Related]
7. Kinetic Monte Carlo simulations of surface growth during plasma deposition of silicon thin films. Pandey SC; Singh T; Maroudas D J Chem Phys; 2009 Jul; 131(3):034503. PubMed ID: 19624205 [TBL] [Abstract][Full Text] [Related]
8. A global reaction route mapping-based kinetic Monte Carlo algorithm. Mitchell I; Irle S; Page AJ J Chem Phys; 2016 Jul; 145(2):024105. PubMed ID: 27421395 [TBL] [Abstract][Full Text] [Related]
9. A single-molecule-level mechanistic study of Pd-catalyzed and Cu-catalyzed homocoupling of aryl bromide on an Au(111) surface. Adisoejoso J; Lin T; Shang XS; Shi KJ; Gupta A; Liu PN; Lin N Chemistry; 2014 Apr; 20(14):4111-6. PubMed ID: 24615740 [TBL] [Abstract][Full Text] [Related]
10. Theoretical analysis of the mechanism of palladium(II) acetate-catalyzed oxidative Heck coupling of electron-deficient arenes with alkenes: effects of the pyridine-type ancillary ligand and origins of the meta-regioselectivity. Zhang S; Shi L; Ding Y J Am Chem Soc; 2011 Dec; 133(50):20218-29. PubMed ID: 22112165 [TBL] [Abstract][Full Text] [Related]
11. Cooperative Au/Ag Dual-Catalyzed Cross-Dehydrogenative Biaryl Coupling: Reaction Development and Mechanistic Insight. Li W; Yuan D; Wang G; Zhao Y; Xie J; Li S; Zhu C J Am Chem Soc; 2019 Feb; 141(7):3187-3197. PubMed ID: 30681846 [TBL] [Abstract][Full Text] [Related]
12. Dinuclear Zn(II) complex catalyzed phosphodiester cleavage proceeds via a concerted mechanism: a density functional theory study. Gao H; Ke Z; DeYonker NJ; Wang J; Xu H; Mao ZW; Phillips DL; Zhao C J Am Chem Soc; 2011 Mar; 133(9):2904-15. PubMed ID: 21319769 [TBL] [Abstract][Full Text] [Related]
13. Synthesis and structure of intermediates in copper-catalyzed alkylation of diphenylphosphine. Cain MF; Hughes RP; Glueck DS; Golen JA; Moore CE; Rheingold AL Inorg Chem; 2010 Sep; 49(17):7650-62. PubMed ID: 20617815 [TBL] [Abstract][Full Text] [Related]
14. Kinetic Monte Carlo simulations of surface reactions on supported nanoparticles: A novel approach and computer code. Kunz L; Kuhn FM; Deutschmann O J Chem Phys; 2015 Jul; 143(4):044108. PubMed ID: 26233108 [TBL] [Abstract][Full Text] [Related]
15. RhRu Bimetallic Oxide Cluster Catalysts for Cross-Dehydrogenative Coupling of Arenes and Carboxylic Acids. Hasegawa S; Harano K; Motokura K J Am Chem Soc; 2024 Jul; 146(28):19059-19069. PubMed ID: 38842195 [TBL] [Abstract][Full Text] [Related]
16. Adaptive kinetic Monte Carlo simulation of methanol decomposition on Cu(100). Xu L; Mei D; Henkelman G J Chem Phys; 2009 Dec; 131(24):244520. PubMed ID: 20059092 [TBL] [Abstract][Full Text] [Related]
17. Coupling of kinetic Monte Carlo simulations of surface reactions to transport in a fluid for heterogeneous catalytic reactor modeling. Schaefer C; Jansen AP J Chem Phys; 2013 Feb; 138(5):054102. PubMed ID: 23406093 [TBL] [Abstract][Full Text] [Related]
18. Theoretical study of mechanism and selectivity of copper-catalyzed C-H bond amidation of indoles. Santoro S; Liao RZ; Himo F J Org Chem; 2011 Nov; 76(22):9246-52. PubMed ID: 21978323 [TBL] [Abstract][Full Text] [Related]
19. An off-lattice, self-learning kinetic Monte Carlo method using local environments. Konwar D; Bhute VJ; Chatterjee A J Chem Phys; 2011 Nov; 135(17):174103. PubMed ID: 22070288 [TBL] [Abstract][Full Text] [Related]
20. Rh(III) -catalyzed C(sp(3))-H bond activation by an external base metalation/deprotonation mechanism: a theoretical study. Jiang J; Ramozzi R; Morokuma K Chemistry; 2015 Jul; 21(31):11158-64. PubMed ID: 26100847 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]