Energy Decomposition Analysis for Interactions of Radicals: Theory and Implementation at the MP2 Level with Application to Hydration of Halogenated Benzene Cations and Complexes between CO2 -· and Pyridine and Imidazole Read More » July 28, 2026
Configurational entropy of folded proteins and its importance for intrinsically disordered proteins Read More » July 28, 2026
Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer Read More » July 28, 2026
Development of a Many-Body Force Field for Aqueous Alkali Metal and Halogen Ions: An Energy Decomposition Analysis Guided Approach Read More » July 28, 2026
NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces Read More » July 28, 2026
Force Decomposition Analysis: A Method to Decompose Intermolecular Forces into Physically Relevant Component Contributions Read More » July 28, 2026
Ionic Covalent Organic Framework as a Dual Functional Sensor for Temperature and Humidity Read More » July 28, 2026
Freezing-Activated Covalent Organic Frameworks for Precise Fluorescence Cryo-Imaging of Cancer Tissue Read More » July 28, 2026
Electrocatalytic Water Splitting in Isoindigo-Based Covalent Organic Frameworks Read More » July 28, 2026
