Lv2
112 积分 2025-05-29 加入
Automated DFT-Machine Learning Integration Enables Data-Efficient and Generalizable Feasibility Predictions in Metallaphotoredox sp2sp3 Cross-Coupling Reactions
2天前
已完结
Locating Ab Initio Transition States via Geodesic Construction on Machine-Learned Potential Energy Surfaces
2天前
已完结
Automated Reactivity Prediction of Complex Molecules and Its Application to Total Synthesis of Ageliferin
2天前
已完结
Transition State Theory for Dissociation of Dynamic Bonding Networks
16天前
已完结
Data-driven and interpretable machine learning for performance-determining interactions governing C-C coupling and C2+ selectivity in Cu-catalyzed CO2 electroreduction
17天前
已完结
The First Frustrated Lewis Pairs Database: Machine Learning and Cheminformatics-Aided Prediction of Small Molecule Activation
17天前
已完结
Atomically Engineered Acridine Derivatives Serve as Metal-Free and Self-Sensitized Catalysts for Solar-Driven CO2 to Formic Acid with High-Efficiency and Near-Perfect Selectivity
17天前
已完结
Copolymerization of CO 2 with Epoxides by Imidazolium Engineering in Bifunctional Organoboron Catalysts
17天前
已完结
Highly Efficient Multicomponent CO2 Conversion Facilitated by Synergistic Catalysis from N‐Heterocyclic Carbene and Copper in Metal–Organic Framework under Mild Conditions
18天前
已完结
Comprehensive Basicity Scales for N-Heterocyclic Carbenes in DMSO: Implications on the Stabilities of NHC-CO2 Adducts
18天前
已完结
皖公网安备34019202002308
