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. Microkinetic Modeling: A Tool for Rational Catalyst Design. Motagamwala AH; Dumesic JA Chem Rev; 2021 Jan; 121(2):1049-1076. PubMed ID: 33205961 [TBL] [Abstract][Full Text] [Related]
7. Composition- and Condition-Dependent Kinetics of Homogeneous Ester Hydrogenation by a Mn-Based Catalyst. Krieger AM; Kuliaev P; Armstrong Hall FQ; Sun D; Pidko EA J Phys Chem C Nanomater Interfaces; 2020 Dec; 124(49):26990-26998. PubMed ID: 33335641 [TBL] [Abstract][Full Text] [Related]
9. Mechanistic insight on the hydrogenation of conjugated alkenes with h(2) catalyzed by early main-group metal catalysts. Zeng G; Li S Inorg Chem; 2010 Apr; 49(7):3361-9. PubMed ID: 20196551 [TBL] [Abstract][Full Text] [Related]
10. Tandem Catalysis of Ammonia Borane Dehydrogenation and Phenylacetylene Hydrogenation Catalyzed by CeO Li X; Song L; Gao D; Kang B; Zhao H; Li C; Hu X; Chen G Chemistry; 2020 Apr; 26(19):4419-4424. PubMed ID: 32027761 [TBL] [Abstract][Full Text] [Related]
11. Free energy profile and microkinetic modeling of base-catalyzed conjugate addition reaction of nitroalkanes to α,β-unsaturated ketones in polar and apolar solvents. Rufino VC; Resende SM; Pliego JR J Mol Model; 2018 Jun; 24(7):152. PubMed ID: 29876745 [TBL] [Abstract][Full Text] [Related]
12. Base-catalyzed hydrogenation: rationalizing the effects of catalyst and substrate structures and solvation. Chan B; Radom L J Am Chem Soc; 2005 Mar; 127(8):2443-54. PubMed ID: 15724999 [TBL] [Abstract][Full Text] [Related]
13. DFT simulations and microkinetic modelling of 1-pentyne hydrogenation on Cu20 model catalysts. Ma L; Melander M; Weckman T; Lipasti S; Laasonen K; Akola J J Mol Graph Model; 2016 Apr; 65():61-70. PubMed ID: 26930446 [TBL] [Abstract][Full Text] [Related]
14. Mechanistic Insights into Ethylene Transformations on Ir(111) by Density Functional Calculations and Microkinetic Modeling. Shi XR; Kong H; Wang S; Wang H; Qin Z; Wang J Chemphyschem; 2017 Apr; 18(8):906-916. PubMed ID: 28195415 [TBL] [Abstract][Full Text] [Related]
15. Interface-tuned selective reductive coupling of nitroarenes to aromatic azo and azoxy: a first-principles-based microkinetics study. Zhang L; Shao ZJ; Cao XM; Hu P Phys Chem Chem Phys; 2019 Jun; 21(23):12555-12565. PubMed ID: 31149681 [TBL] [Abstract][Full Text] [Related]
16. Experimental and theoretical analysis of asymmetric induction in heterogeneous catalysis: diastereoselective hydrogenation of chiral alpha-hydroxyketones over Pt catalyst. Busygin I; Taskinen A; Nieminen V; Toukoniitty E; Stillger T; Leino R; Murzin DY J Am Chem Soc; 2009 Apr; 131(12):4449-62. PubMed ID: 19260682 [TBL] [Abstract][Full Text] [Related]
18. A DFT-based microkinetic study on methanol synthesis from CO Zhou Z; Qin B; Li S; Sun Y Phys Chem Chem Phys; 2021 Jan; 23(3):1888-1895. PubMed ID: 33458735 [TBL] [Abstract][Full Text] [Related]
19. The Impact of Computational Uncertainties on the Enantioselectivity Predictions: A Microkinetic Modeling of Ketone Transfer Hydrogenation with a Noyori-type Mn-diamine Catalyst. Krieger AM; Pidko EA ChemCatChem; 2021 Aug; 13(15):3517-3524. PubMed ID: 34589158 [TBL] [Abstract][Full Text] [Related]
20. A highly active copper catalyst for the hydrogenation of carbon dioxide to formate under ambient conditions. Chaudhary K; Trivedi M; Masram DT; Kumar A; Kumar G; Husain A; Rath NP Dalton Trans; 2020 Mar; 49(9):2994-3000. PubMed ID: 32083266 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]