01-02
Conductor-like Polarizable Continuum Model (C-PCM) の理論的構成：導体境界条件に基づく溶媒効果の定式化と解析的微分
#Computational Chemistry #C-PCM #Solvation Model #Electrostatics #Quantum Mechanics #Thermodynamics
01-02
Conductor-like Screening Model (COSMO) の理論的体系：導体近似による静電遮蔽と溶媒和エネルギーの定式化
#Computational Chemistry #COSMO #Solvation Model #Electrostatics #Thermodynamics #Algorithm
01-02
Polarizable Continuum Model (PCM) の理論的基礎：静電相互作用の数学的定式化と発展
#Computational Chemistry #Solvation Model #PCM #Electrostatics #Quantum Mechanics #Thermodynamics
01-02
Reference Interaction Site Model (RISM) の理論的体系：分子性液体における統計力学と電子状態理論の融合
#Computational Chemistry #RISM #Statistical Mechanics #Integral Equation Theory #Solvation #Thermodynamics
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
