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110 积分 2024-07-20 加入
The Structure and Dynamics of Undissociated HgCl 2 in Aqueous Solution: Insight From a Quantum Mechanics/Molecular Mechanics Molecular Dynamics ( QM / MM ) Simulation
9小时前
待确认
Coordination States of Fe3+ and Fe2+ Dissolved in Organic Solvents
29天前
已完结
Extension of the Universal Force Field to Metal–Organic Frameworks
1个月前
已完结
A simple but effective modeling strategy for structural properties of non‐heme Fe(II) sites in proteins: Test of force field models and application to proteins in the AlkB family
1个月前
已完结
Analysis of Fe2+ and Mn2+ ions in DES and water: A theoretical study using molecular dynamic simulations, QTAIM and NCI-RDG
3个月前
已完结
Regulating the coordination of solvent molecules with K salts for non-flammable and durable potassium-ion batteries with all-aluminum current collectors
5个月前
已关闭
Selective recovery of silver from end-of-life crystalline silicon photovoltaic (EoL c-Si PV) modules in the CH3CN-FeCl3 system
5个月前
已关闭
Emergence of perovskites oxides as advanced Photocatalysts for energy and environmental remediation applications
7个月前
已完结
Migration and transformation behavior of lattice nitrogen during chemical looping ammonia synthesis of tungsten-based nitrogen carrier
7个月前
已完结
Molecular interaction mechanism and performance evaluation in the liquid-liquid extraction process of ionic liquid-heptane-tertiary butanol based on molecular dynamics
10个月前
已完结
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