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Pressemitteilungen

ChemRxiv: Preprint-Publikationen

Philip Jacobson · Suhas Kumar et al.

Peak2Patch: High-Fidelity Functional Group Identification Through Attention-based Fusion of Infrared and Mass Spectra

Yifei Yue · Athulya S. Palakkal et al.

Are Hemilabile Metal−Organic Frameworks Overlooked as Promising Water-Stable Adsorbents? Elucidating Their Physical and Hydrolytic Properties Using Machine-Learned Potentials

Laurean Ilies · Yuichiro Mutoh et al.

Borylation of Simple Arenes Enabled by π-Coordination

Shuhao Zhang · Michael Chigaev et al.

Including physics-informed atomization constraints in neural networks for reactive chemistry

Philip Jacobson · Suhas Kumar et al.

Peak2Patch: High-Fidelity Functional Group Identification Through Attention-based Fusion of Infrared and Mass Spectra

Yifei Yue · Athulya S. Palakkal et al.

Are Hemilabile Metal−Organic Frameworks Overlooked as Promising Water-Stable Adsorbents? Elucidating Their Physical and Hydrolytic Properties Using Machine-Learned Potentials

Laurean Ilies · Yuichiro Mutoh et al.

Borylation of Simple Arenes Enabled by π-Coordination

Shuhao Zhang · Michael Chigaev et al.

Including physics-informed atomization constraints in neural networks for reactive chemistry

Jonas Verhellen

Bayesian Illumination: Inference and Quality-Diversity Accelerate Generative Molecular Models

Takuto Koyama · Shoma Ito et al.

Improving ADME Prediction with Multitask Graph Neural Networks and Assessing Explainability in Lead Optimization

Paul Maggard · Scott McGuigan et al.

Molecular Modifications of Crystalline Poly(triazine imide) for Advancing its Structure-Property Relationships in Light-Driven Catalysis

Ruchi Gakhar · Garrett LeCroy et al.

Versatile Cell Design for Molten Fluoride Salt Spectroscopy: Investigating Metal-Ion Speciation in High-Temperature eutectic LiF-NaF-KF

Yunus Zorlu · Elif Özcan

Bipyridine-Functionalized Cd(II) Coordination Frameworks Based on Robust Cyclophosphazenes: Structural Engineering toward Enhanced Photocatalytic Activity

Robert Comito · Simran Simran et al.

Cooperative Enhancement of Redox Catalysis by a Binucleated Divanadium Complex for Sustainable Oxidation