Scientific Publications
Journal Article (5031)
1.
Journal Article
57 (9), pp. 1411 - 1420 (2024)
Local Energy Decomposition Analysis of London Dispersion Effects: From Simple Model Dimers to Complex Biomolecular Assemblies. Accounts of Chemical Research 2.
Journal Article
16 (17), pp. 21997 - 22006 (2024)
Unraveling the Evolution of Dynamic Active Sites of LaNixFe1–xO3 Catalysts During OER. ACS Applied Materials and Interfaces 3.
Journal Article
Exploring the Effects of the Photochromic Response and Crystallization on the Local Structure of Noncrystalline Niobium Oxide. ACS Applied Materials and Interfaces (2024)
4.
Journal Article
Elucidating substrate binding in the light-dependent protochlorophyllide oxidoreductase. Chemical Science (2024)
5.
Journal Article
384 (6694), pp. 446 - 452 (2024)
Nitrate reduction enables safer aryldiazonium chemistry. Science 6.
Journal Article
63 (18), e202401375 (2024)
Site-Isolated Rhodium(II) Metalloradicals Catalyze Olefin Hydrofunctionalization. Angewandte Chemie International Edition 7.
Journal Article
63 (16), pp. 7386 - 7400 (2024)
Correlating Valence and 2p3d RIXS Spectroscopies: A Ligand-Field Study of Spin-Crossover Iron(II). Inorganic Chemistry 8.
Journal Article
7 (8), pp. 3145 - 3156 (2024)
Boron-Incorporated Cobalt–Nickel Oxide Nanosheets for Electrochemical Oxygen Evolution Reaction. ACS Applied Energy Materials 9.
Journal Article
14 (8), pp. 6358 - 6368 (2024)
Enzymatic Stereodivergent Access to Fluorinated β-Lactam Pharmacophores via Triple-Parameter Engineered Ketoreductases. ACS Catalysis 10.
Journal Article
The p-block challenge: assessing quantum chemistry methods for inorganic heterocycle dimerizations. Physical Chemistry Chemical Physics (2024)
11.
Journal Article
Exceptions, Paradoxes, and Their Resolutions in Chemical Reactivity. ChemRxiv: the Preprint Server for Chemistry (2024)
12.
Journal Article
48 (14), pp. 6132 - 6141 (2024)
Mechanistic insights on the epoxidation of alkenes by high-valent non-heme Fe(IV) and Fe(V) oxidants: a comparative theoretical study. New Journal of Chemistry 13.
Journal Article
146 (14), pp. 9640 - 9656 (2024)
Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 14.
Journal Article
Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations. Chemical Science (2024)
15.
Journal Article
Ionic liquid-stabilized metal oxoclusters: from design to catalytic application. Green Chemistry (2024)
16.
Journal Article
63 (14), e202311250 (2024)
1,4-Aminoarylation of Butadienes via Photoinduced Palladium Catalysis. Angewandte Chemie International Edition 17.
Journal Article
63 (14), e202317038 (2024)
Mechanocatalytic Synthesis of Ammonia: State of the Catalyst During Reaction and Deactivation Pathway. Angewandte Chemie International Edition 18.
Journal Article
16 (4), pp. 651 - 657 (2024)
Structural characterization and reactivity of a room-temperature-stable, antiaromatic cyclopentadienyl cation salt. Nature Chemistry 19.
Journal Article
2024 (3), 202312158 (2024)
Tert-butyl hydroperoxide decomposition as a descriptor for liquid-phase hydrocarbon oxidation over transition metal oxide-based catalysts: a screening study (GH-12158WP). ARKIVOC 20.
Journal Article
120 (1), pp. 17 - 23 (2024)
Adición oxidante en complejos de bismuto. Anales de Química de la RSEQ