Journal Article (5039)
481.
Journal Article
143 (18), pp. 6817 - 6822 (2021)
Azine Activation via Silylium Catalysis. Journal of the American Chemical Society 482.
Journal Article
17 (5), pp. 2868 - 2885 (2021)
Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark Calculations. Journal of Chemical Theory and Computation 483.
Journal Article
11 (9), pp. 5119 - 5134 (2021)
Correlating the Synthesis, Structure, and Catalytic Performance of Pt–Re/TiO2 for the Aqueous-Phase Hydrogenation of Carboxylic Acid Derivatives. ACS Catalysis 484.
Journal Article
8 (9), pp. 2395 - 2404 (2021)
Robust magnetic anisotropy of a monolayer of hexacoordinate Fe(II) complexes assembled on Cu(111). Inorganic Chemistry Frontiers 485.
Journal Article
143 (17), pp. 6560 - 6577 (2021)
Structure–Spectroscopy Correlations for Intermediate Q of Soluble Methane Monooxygenase: Insights from QM/MM Calculations. Journal of the American Chemical Society 486.
Journal Article
11 (5), 512 (2021)
The Reactivity of the Imine Bond within Polynuclear Nickel(II) Complexes. Crystals 487.
Journal Article
9 (5), 2001048 (2021)
Synthesis and Effective Thermal Conductivity Measurements of Hollow Mesoporous SiO2 Spheres for Heat‐Insulating Applications. Energy Technology 488.
Journal Article
60 (19), pp. 10557 - 10562 (2021)
Decarboxylative Polyfluoroarylation of Alkylcarboxylic Acids. Angewandte Chemie International Edition 489.
Journal Article
229, pp. 208 - 231 (2021)
Supported FexNiy catalysts for the co-activation of CO2 and small alkanes. Faraday Discussions 490.
Journal Article
154 (16), 164104 (2021)
A trust-region augmented Hessian implementation for restricted and unrestricted Hartree–Fock and Kohn–Sham methods. The Journal of Chemical Physics 491.
Journal Article
57 (33), pp. 3952 - 3974 (2021)
Successes, challenges, and opportunities for quantum chemistry in understanding metalloenzymes for solar fuels research. Chemical Communications 492.
Journal Article
154 (16), 164110 (2021)
DLPNO-MP2 second derivatives for the computation of polarizabilities and NMR shieldings. The Journal of Chemical Physics 493.
Journal Article
57 (32), pp. 3909 - 3912 (2021)
A site-selective and stereospecific cascade Suzuki–Miyaura annulation of alkyl 1,2-bisboronic esters and 2,2′-dihalo 1,1′-biaryls. Chemical Communications 494.
Journal Article
27 (23), pp. 6819 - 6847 (2021)
Mechanochemical Synthesis of Catalytic Materials. Chemistry – A European Journal 495.
Journal Article
143 (15), pp. 5643 - 5648 (2021)
Productive Alkyne Metathesis with “Canopy Catalysts” Mandates Pseudorotation. Journal of the American Chemical Society 496.
Journal Article
3 (2), pp. 578 - 584 (2021)
Absolute Configuration of In Situ Crystallized (+)-γ-Decalactone. Chemistry 497.
Journal Article
143 (15), pp. 5666 - 5673 (2021)
A New Ligand Design Based on London Dispersion Empowers Chiral Bismuth–Rhodium Paddlewheel Catalysts. Journal of the American Chemical Society 498.
Journal Article
11 (8), pp. 4784 - 4798 (2021)
Design of Cobalt Fischer–Tropsch Catalysts for the Combined Production of Liquid Fuels and Olefin Chemicals from Hydrogen-Rich Syngas. ACS Catalysis 499.
Journal Article
143 (14), pp. 5349 - 5354 (2021)
Radical Decarboxylative Carbometalation of Benzoic Acids: A Solution to Aromatic Decarboxylative Fluorination. Journal of the American Chemical Society 500.
Journal Article
40 (7), pp. 890 - 898 (2021)
Arylamidoethyl-Functionalized Imidazolium Salts: Precursors for Dianionic [C,N,C]2– Carbene Ligands at a Platinum Center. Organometallics