Lv76
5000 积分 2022-09-14 加入
Excited‐State Distortions Promote the Photochemical 4π‐Electrocyclizations of Fluorobenzenes via Machine Learning Accelerated Photodynamics Simulations
5个月前
已完结
Machine learning accelerated photodynamics simulations
5个月前
已完结
Construction of High Accuracy Machine Learning Interatomic Potential for Surface/Interface of Nanomaterials—A Review
5个月前
已完结
Construction of High Accuracy Machine Learning Interatomic Potential for Surface/Interface of Nanomaterials—A Review
5个月前
已完结
Quantum Chemistry and Dynamics of Excited States
5个月前
已完结
Surface Hopping Molecular Dynamics
5个月前
已关闭
Ehrenfest Methods for Electron and Nuclear Dynamics
5个月前
已关闭
A Photophysical Deactivation Channel of Laser-Excited TATB Based on Semiclassical Dynamics Simulation and TD-DFT Calculation
6个月前
已完结
Pd(II)/Lewis Acid Catalyzed Intramolecular Annulation of Indolecarboxamides with Dioxygen through Dual C–H Activation
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