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86 积分 2025-10-21 加入
Predicting solvation free energies with an implicit solvent machine learning potential
3个月前
已完结
Computer Simulation of Liquids
3个月前
已完结
Altermagnetic Spin Precession and Spin Transistor
3个月前
已完结
Determination of the absolute solvation free energy and enthalpy of the proton in solutions
3个月前
已完结
An explicit solvent model of coacervate structure and thermodynamics.[J].The Journal of chemical physics
4个月前
已完结
Exact long-range Coulombic energy calculation for net charged systems neutralized by uniformly distributed background charge using fast multipole method and its application to efficient free energy calculation
5个月前
已完结
Computer simulation study of the surface polarization of pure polar liquids
7个月前
已完结
Ab initio molecular dynamics calculations of ion hydration free energies
7个月前
已完结
Free Energy of Ionic Hydration
8个月前
已关闭
On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model
8个月前
已完结
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