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Distinct Valence States of the [4Fe4S] Cluster Revealed in the Hydrogenase CrHydA1

Yesterday by Melanie Heghmanns and others at

Technische Universität Dortmund

Physical Chemistry, Biological and Medicinal Chemistry

First Principles Optoelectronic Calculations of BeSeO3

Yesterday by Abdullahi Isse

Materials Science, Inorganic Chemistry

Mechanosynthesis of ruthenium trisbipyridyl complexes and application in photoredox catalysis in a ball-mill

Yesterday by Florian Luttringer and others at

CNRS

Organic Chemistry, Catalysis

Explainable Synthesizability Prediction of Inorganic Crystal Structures using Large Language Models

Yesterday by Seongmin Kim and others at

Korea Advanced Institute of Science and Technology

Materials Chemistry

Stereoactive Electron Lone Pairs Facilitate Fluoride Ion Diffusion in Tetragonal-BaSnF4

Yesterday by Xiliang Lian and others at

Sorbonne Université

Theoretical and Computational Chemistry, Energy

Late-stage Minimal Labeling of Peptides and Proteins for Real-time Imaging of Cellular Trafficking

Yesterday by Ferran Nadal-Bufi and others at

University of Edinburgh

Biological and Medicinal Chemistry, Chemical Biology

New Equation for Gas-Liquid/Solid Phase Transition

Yesterday by Henmei Ni and Bing Zhu

Physical Chemistry, Catalysis

Ruthenium, copper and ruthenium-copper complexes of an unsymmetrical phosphino pyridyl 1,8-naphthyridine PNNN ligand

Yesterday by Jingyun Wu and others at

Australian National University

Inorganic Chemistry, Organometallic Chemistry

Tensor Train Optimization for Conformational Sampling of Organic Molecules

Yesterday by Christopher Zurek and others at

Rwth Aachen University

Theoretical and Computational Chemistry, Organic Chemistry

In Crystallo O2 Cleavage at a Preorganized Triiron Cluster

Yesterday by Heui Beom Lee and others at

UC Berkeley

Inorganic Chemistry, Bioinorganic Chemistry

Discovery of a broad-spectrum, fluorinated macrobicyclic antibiotic through chemical synthesis

Yesterday by Ben Tresco and others at

Harvard University

Biological and Medicinal Chemistry, Organic Chemistry

Resolving the Coverage Dependence of Surface Reaction Kinetics with Machine Learning and Automated Quantum Chemistry Workflows

Yesterday by Matthew Johnson and others at

Sandia National Laboratories

Theoretical and Computational Chemistry, Physical Chemistry

Carbon-Centered Reactivity in Carbodiphosphorane-Based Ligands Allowing for Redox-Non-Innocent Ligand-Ligand Cooperative- and Catalytic Dual Bond-Activation

Yesterday by Philipp Schatz and others

Theoretical and Computational Chemistry, Catalysis

Advancing the Mechanosensitivity of Atropisomeric Diarylethene Mechanophores Through a Lever-Arm Effect

Yesterday by Cijun Zhang and others at

Syracuse University

Organic Chemistry, Materials Science

PySIDT: Subgraph Isomorphic Decision Trees for Molecular Property Prediction

Yesterday by Matthew Johnson and others

Theoretical and Computational Chemistry, Physical Chemistry

Impact of Sensor Placement on Indoor Air Quality Monitoring: A Comparative Analysis

Yesterday by Adedeji Adebukola Adelodun and others

Analytical Chemistry, Earth, Space, and Environmental Chemistry

Nitrogen Fixation via Pd-nanoparticle Electrocatalysis

Yesterday by Samuel Adeosun and others at

Texas Tech University

Nanoscience, Nanocatalysis

Composition Variation Reveals the Non-Ideal Mixing of Components in (Mg0.2Co0.2Ni0.2Cu0.2Zn0.2)O and the Benefits of this Variation in Sodium Ion-Battery

Yesterday by Modeste Tegomoh and others at

Ohio State University

Physical Chemistry, Materials Science

Physics-informed dual-objective optimization of high-entropy-alloy nanozymes by a robotic AI chemist

Yesterday by Man Luo and others at

University of Science and Technology of China

Theoretical and Computational Chemistry, Physical Chemistry

Unveiling the Impact of Impurity Phases on the Electrochemical Performance of Cobalt-Free Analogs of (Mg0.2Co0.2Ni0.2Cu0.2Zn0.2)O as anode for Lithium-ion Batteries

Yesterday by Modeste Tegomoh and Anne Co

Materials Science, Energy

Synthesis of Os Hydride Complexes Supported by the Diarylamido/Bis(phosphine) PNP Ligand and Attempts at Using (PNP)Ru and (PNP)Os Complexes in C-H Borylation Catalysis

Yesterday by Patricio Castillo and others

Inorganic Chemistry, Organometallic Chemistry

Catalytic Serine Labeling in Nonaqueous, Acidic Media

Yesterday by Seiya Ishizawa and others at

North Carolina State University

Organic Chemistry, Bioorganic Chemistry

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Molecular Dynamics in the TEA Challenge 2023

Yesterday by Igor Poltavsky and others

Theoretical and Computational Chemistry, Physical Chemistry

The glycerol/water mixture is an effective Deep Eutectic Solvent for the extractions from food waste matrixes

Yesterday by Francesca Pompei and others

Organic Chemistry, Chemical Engineering and Industrial Chemistry

Simplifying Wheat Quality Assessment: Using Near-Infrared Spectroscopy and Analysis of Variance Simultaneous Component Analysis to Study Regional and Annual Effects

Yesterday by Stephan Freitag and others

Analytical Chemistry, Agriculture and Food Chemistry

Coupled Cation-Electron Transfer at Pt(111)/Perfluoro-Sulfonic Acid Ionomer Interface and Kinetic impact on the Oxygen Reduction Reaction

Yesterday by Kaiyue Zhao and others at

Peking University

Physical Chemistry, Catalysis

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Model Analysis in the TEA Challenge 2023

Yesterday by Igor Poltavsky and others at

University of Luxembourg

Theoretical and Computational Chemistry, Physical Chemistry

Intermediate Knowledge Enhanced the Performance of N-Amide Coupling Yield Prediction Model

Yesterday by Chonghuan Zhang and others

Theoretical and Computational Chemistry, Organic Chemistry

Mechanistic Insights into Nitrile and Alkyne Covalent Inhibitors of the SARS-CoV-2 Main Protease

Yesterday by Ashim Nandi and others at

University of Southern California

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Pairing a Global Optimization Algorithm with EXAFS to Accelerate Prediction of Lanthanide Structures in Solution

Yesterday by Thomas Summers and others

Theoretical and Computational Chemistry, Inorganic Chemistry

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