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86 积分 2025-10-21 加入
Predicting solvation free energies with an implicit solvent machine learning potential
1个月前
已完结
Computer Simulation of Liquids
1个月前
已完结
Altermagnetic Spin Precession and Spin Transistor
2个月前
已完结
Determination of the absolute solvation free energy and enthalpy of the proton in solutions
2个月前
已完结
An explicit solvent model of coacervate structure and thermodynamics.[J].The Journal of chemical physics
2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
3个月前
已完结
Computer simulation study of the surface polarization of pure polar liquids
6个月前
已完结
Ab initio molecular dynamics calculations of ion hydration free energies
6个月前
已完结
Free Energy of Ionic Hydration
6个月前
已关闭
On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model
6个月前
已完结
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