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One Oxygen Vacancy, Two Charge States: Characterization of Reduced alpha-MoO3(010) through Theoretical Methods
J. Phys. Chem. Lett. 2018, 9 (10), 2568–2573, DOI: 10.1021/acs.jpclett.8b00536. -
Creating Cavities at Palladium–Phosphine Interfaces for Enhanced Selectivity in Heterogeneous Biomass Conversion
ACS Catal. 2018, 8 (7), 6138–6145, DOI: 10.1021/acscatal.8b01302. -
Lattice mismatch as the descriptor of segregation, stability and reactivity of supported thin catalyst films
Phys. Chem. Chem. Phys. 2018, 20, 1524-1530, DOI: 10.1039/C7CP07276G. -
Site-Selective Ni-Catalyzed Reductive Coupling of alpha-Haloboranes with Unactivated Olefins
J. Am. Chem. Soc. 2018, 140 (40), 12765–12769, DOI: 10.1021/jacs.8b09425.* Most read article in October 2018.
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A DFT-based mechanistic proposal for the light-driven insertion of dioxygen into Pt(ii)-C bonds
Chem. Sci. 2018, 9, 5039-5046, DOI: 10.1039/C8SC01161C. -
Palladium-Catalyzed Aerobic Homocoupling of Alkynes: Full Mechanistic Characterization of a More Complex Oxidase-Type Behavior
ACS Catal. 2018, 8 (8), 7495–7506, DOI: 10.1021/acscatal.8b01540. -
The Acetate Proton Shuttle between Mutually Trans Ligands
Organometallics 2018, 37 (15), 2645–2651, DOI: 10.1021/acs.organomet.8b00417. -
Expanding the Range of Force Fields Available for ONIOM Calculations: The SICTWO Interface
J. Chem. Inf. Model. 2018, 58 (9), 1828–1835, DOI: 10.1021/acs.jcim.8b00332. -
Accelerated Ru-Cu Trinuclear Cooperative C-H Bond Functionalization of Carbazoles: A Kinetic and Computational Investigation
GO TO OPEN ACCESS CHEM-EUR J 2018, 24 (57), 15178-15184, DOI: 10.1002/chem.201802886. -
Photoinduced O2-Dependent Stepwise Oxidative Deglycination of a Nonheme Iron(III) Complex
J Am Chem Soc. 2018, 140 (43), 14150-14160, DOI: 10.1021/jacs.8b07455.