Lv41
438 积分 2024-03-04 加入
Quantifying the Structure of Water and Hydrated Monovalent Ions by Density Functional Theory-Based Molecular Dynamics
5天前
已完结
Dispersion corrected RPBE studies of liquid water
5天前
已完结
The Challenge of Characterizing High-Concentration Electrolytes at the Molecular Level: A Perspective
5天前
已完结
Unraveling local structures of Salt-in-Water and Water-in-Salt electrolytes via ab initio molecular dynamics
5天前
已完结
Molecular Modeling of Water-in-Salt Electrolytes: A Comprehensive Analysis of Polarization Effects and Force Field Parameters in Molecular Dynamics Simulations
5天前
已完结
First-Principles Study on the Peculiar Water Environment in a Hydrate-Melt Electrolyte
5天前
已完结
Water-In-Salt LiTFSI Aqueous Electrolytes (2): Transport Properties and Li+ Dynamics Based on Molecular Dynamics Simulations
5天前
已完结
Structure and dynamics of the Li+ ion in water, methanol and acetonitrile solvents: ab initio molecular dynamics simulations
5天前
已完结
Toward a First-Principles Framework for Predicting Collective Properties of Electrolytes
5天前
已完结
Benchmarking water adsorption on metal surfaces with ab initio molecular dynamics
7天前
已完结
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