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140 积分 2024-11-01 加入
PySTH: A Python program for calculating and analyzing theoretical solar-to-hydrogen efficiency
6天前
已完结
Understanding the hydrogen evolution reaction activity of doped single-atom catalysts on two-dimensional GaPS4 by DFT and machine learning
22天前
已完结
Neural-network-based molecular dynamics simulations reveal that proton transport in water is doubly gated by sequential hydrogen-bond exchange
22天前
已完结
Accelerating CO2 direct air capture screening for metal-organic frameworks with a transferable machine learning force field
1个月前
已完结
PWmat MLFF: Generating Machine Learning Force Field in Plane-Wave Basis for Molecular Dynamics Simulation
1个月前
已关闭
Applications and Advances in Machine Learning Force Fields
3个月前
已完结
Charge Transfer Modulated Activity of Carbon‐Based Electrocatalysts
5个月前
已完结
Mechanistic Differences between the Ru(II) and Zn(II)-Catalyzed Cross-Coupling of Cyclopropenes with Diazo Compounds: A DFT Study†
10个月前
已完结
Enhanced Base‐Free Formic Acid Production from CO2 on Pd/g‐C3N4 by Tuning of the Carrier Defects
11个月前
已完结
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