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Transition Metal Complexes
Machine Learning for Anticancer Activity Prediction of Transition Metal Complexes
16 September 2025 by
Lev Krasnov
and
others
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
Ligand Field Tuning of Photoreactivity: Contrasting Low-spin and High-spin Fe(III)-Azido Complexes
8 September 2025 by
Frederik Scherz
and
Vera Krewald
Theoretical and Computational Chemistry
,
Physical Chemistry
Partially Saturated Copper(I) Rotaxane Complexes from Active Template Synthesis Enable O2-to-H2O Reduction under Acidic Conditions
5 September 2025 by
Yan Zhang
and
others
Inorganic Chemistry
,
Catalysis
A Heterometallic σ-Silane Adduct from Cooperative Reactivity of an Fe–Al Complex
4 September 2025 by
Mark Crimmin
and
Benedek Stadler
at
Imperial College London
Theoretical and Computational Chemistry
,
Inorganic Chemistry
Unprecedented Formation of a High-Valent Cu(III) Trifluoromethyl Hydroxide Tetramer
1 September 2025 by
Vladimir Motornov
and
Niklas Limberg
at
Freie Universität Berlin
Inorganic Chemistry
,
Organometallic Chemistry
Multiconfigurational electronic structure explains the role of ligands in g-tensor anisotropy for Ru(III) complexes
31 August 2025 by
Pavel Pokhilko
and
Yulia Pushkar
Theoretical and Computational Chemistry
,
Physical Chemistry
Aerobic Base-free C–H Bond Activation at a Pd Center in Aqueous Conditions
28 August 2025 by
Dae Young Bae
and
others
at
University of Illinois at Urbana-Champaign
Organic Chemistry
,
Inorganic Chemistry
[3]CycloBODIPY: A Highly Strained Cyclic BODIPY Trimer with Effective Macrocyclic Conjugation
28 August 2025 by
Masaki Sugino
and
others
Physical Chemistry
,
Organic Chemistry
Organophosphides: A New Class of Luminophore Ligands for Copper(I) Carbene Based TADF Emitters and Photocatalysts
26 August 2025 by
Paul Ruer
and
others
Physical Chemistry
,
Materials Science
Distilling System Complexity to Enable Unbiased and Predictive Computational Reaction Investigations
20 August 2025 by
Raphaël Robidas
and
Claude Legault
at
Université de Sherbrooke
Theoretical and Computational Chemistry
,
Catalysis
Identifying Dynamic Metal–Ligand Coordination Modes with Ensemble Learning
20 August 2025 by
Jacob Toney
and
others
at
MIT
Theoretical and Computational Chemistry
,
Organometallic Chemistry
Electrocatalytic Promiscuity of a Coordinatively Saturated Iron Complex via Ligand Fluxionality and Internal Electric Fields
18 August 2025 by
Ayan Santra
and
others
Inorganic Chemistry
,
Catalysis
A Snapshot Of Flavin-Conjugated Pt Anticancer Agents: Pt(IV)-To-Pt(II) Reduction Revealed By X-Ray Fluorescence Imaging And XANES
15 August 2025 by
Esteban Zingales
and
others
Physical Chemistry
,
Biological and Medicinal Chemistry
Synthesis and Integration of 2D Prussian Blue and Prussian Blue Analogues into NonVolatile Memristive Devices
13 August 2025 by
Ramón Torres-Cavanillas
and
others
at
University of Oxford
Inorganic Chemistry
,
Nanoscience
N-Arylation by Nickel-Mediated Carbonyl Deletion from Carbox-amides Enabled by Visible Light
12 August 2025 by
Daniel Akuamoah
and
others
at
University of Rochester
Organic Chemistry
,
Organometallic Chemistry
Disentangling Cooperative Electron Correlation and Structural Effects in Bio-inspired [Fe4S4]+ Stereo-valence Isomerism and π-Acid Activation
11 August 2025 by
Shelby Davis
and
others
Theoretical and Computational Chemistry
,
Physical Chemistry
Investigating N2 Fixation Using A Bulky Fe(bisphosphine)2 Framework
5 August 2025 by
Andrew Crawford
and
others
at
Imperial College London
Inorganic Chemistry
,
Catalysis
Atomic Orbital Energy Matching vs. Overlap in Actinide-Ligand Dative Bonding
5 August 2025 by
Asmita Sen
and
others
at
State University of New York at Buffalo
Theoretical and Computational Chemistry
,
Physical Chemistry
Atomic Orbital Energy Matching vs. Overlap in Actinide-Ligand Dative Bonding
1 August 2025 by
Asmita Sen
and
others
at
State University of New York at Buffalo
Theoretical and Computational Chemistry
,
Physical Chemistry
Harnessing ferrocenecarboxaldehyde in multicomponent reactions for the synthesis of bioactive heterocyclic ferrocenes
29 July 2025 by
Kyrylo Tymoshenko
and
Vitalii Palchykov
Organic Chemistry
,
Catalysis
Leveraging a Large-Scale Experimental Database of Ruthenium Complexes to Predict Cytotoxicity for Anticancer Purposes Using Machine Learning
28 July 2025 by
Dmitry Malikov
and
others
at
Lomonosov Moscow State University
Theoretical and Computational Chemistry
,
Biological and Medicinal Chemistry
Light-Activated Metal-dependent Protein Degradation (LAMP-D): A Heterobifunctional Ruthenium(II) Photosensitizer Targeting New Delhi Metallo-β-lactamase 1
23 July 2025 by
Lars Stevens-Cullinane
and
others
at
Francis Crick Institute
Biological and Medicinal Chemistry
,
Inorganic Chemistry
Antiaromaticity versus Electron Affinity: Quantitative Insights into Metal–Ligand Interactions in Ni–Pentalene Complexes
16 July 2025 by
Riina Kuwata
and
others
at
Institute for Advanced Study
Organic Chemistry
,
Organometallic Chemistry
Well-defined Rhodium and Iridium complexes containing chiral Cyclic(alkyl)(amino)carbenes for asymmetric hydrogenation
14 July 2025 by
Fanny Morvan
and
others
at
CNRS
Organic Chemistry
,
Catalysis
A Cyclometalated Cobalt(III) Triazolylidene Photosensitiser Complex Exhibiting Enhanced Light-Harvesting and Low Temperature 3MC State Luminescence
9 July 2025 by
Mary White
and
others
at
University of Huddersfield
Inorganic Chemistry
,
Organometallic Chemistry
Reactivity Studies of Bipyridine-Ligated Nickel(I) and Nickel(0) Complexes Inform Mechanism in Modern Cross-Coupling Reac-tions
7 July 2025 by
T. Judah Raab
and
Abigail Doyle
at
UC Los Angeles
Organic Chemistry
,
Catalysis
Molecular Models of Layered Ternary Cu2MoS4 Reveal Sulfur-Based H2 Evolution Pathway
3 July 2025 by
Lauren Feden
and
others
Materials Science
,
Inorganic Chemistry
Structural Dependence of Catenand Effect: Thermodynamic and Kinetic Modulation of Catenane Coordination Properties via Ring-size and Exocyclic Substituent Variation
2 July 2025 by
Yulin Deng
and
others
at
University of Hong Kong
Inorganic Chemistry
,
Coordination Chemistry
Cis versus Trans C-F Activation of Hexafluorobenzene with N-heterocyclic Carbene Ni(0) Complexes
1 July 2025 by
Ethan Chavarin
and
others
at
Weber State University
Organometallic Chemistry
,
Bond Activation
Capturing the Hybrid Palladium(I)-Radical Pair in Sterically Encumbered Xantphos-Palladium Compounds
30 June 2025 by
Sagnik Chakrabarti
and
others
at
University of Illinois at Urbana-Champaign
Inorganic Chemistry
,
Catalysis
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