01-02
Integral Equation Formalism Polarizable Continuum Model (IEF-PCM) の理論的体系:数理的定式化から多相系への拡張まで
#Computational Chemistry #IEF-PCM #Solvation Model #Electrostatics #Integral Equations #Boundary Element Method
01-02
Universal Solvation Model Based on Solute Electron Density (SMD): 理論的構成とパラメータ化の体系
#Computational Chemistry #SMD #Solvation Model #Truhlar #IEF-PCM #Thermodynamics #Density Functional Theory