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Electrostatically Embedded Multiconfiguration Molecular Mechanics Based on the Combined Density Functional and Molecular Mechanical Method

机译：基于组合密度泛函和分子力学方法的静电嵌入式多配方分子力学

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Masahiro Higashi; Donald G. Truhlar;
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年度 2008
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1. Electrostatically embedded multiconfiguration molecular mechanics based on the combined density functional and molecular mechanical method [J] . Higashi M, Truhlar DG Journal of chemical theory and computation: JCTC . 2008,第5期

机译：基于密度泛函和分子力学方法相结合的静电嵌入多构型分子力学
2. Combined Electrostatically Embedded Multiconfiguration Molecular Mechanics and Molecular Mechanical Method:Application to Molecular Dynamics Simulation of a Chemical Reaction in Aqueous Solution with Hybrid Density Functional Theory [J] . Masahiro Higashi, Donald G.Truhlar Journal of chemical theory and computation: JCTC . 2008,第7期

机译：结合静电嵌入的多构型分子力学和分子力学方法：应用混合密度泛函理论在水溶液中化学反应的分子动力学模拟中的应用
3. Multiconfiguration Molecular Mechanics Based on Combined Quantum Mechanical and Molecular Mechanical Calculations [J] . Hai Lin, Yan Zhao, Oksana Tishchenko Journal of chemical theory and computation: JCTC . 2006,第5期

机译：基于组合量子力学和分子力学计算的多构型分子力学
4. Interfacial Properties of Realistic Molecular Fluids: A Combined Molecular Simulation and Classical Density Functional Theory Approach (PPT) [C] . Ahmadreza F. Ghobadi, J. Richard Elliott AIChE Annual Meeting . 2014

机译：现实分子流体的界面性能：组合分子模拟与经典密度泛函理论方法（PPT）
5. Multi-layer methods for quantum chemistry in the condensed phase: Combining density functional theory, molecular mechanics, and continuum solvation models. [D] . Lange, Adrian William George. 2012

机译：凝聚态量子化学的多层方法：结合密度泛函理论，分子力学和连续介质溶剂化模型。
6. Generalized Hybrid-Orbital Method for Combining Density Functional Theory with Molecular Mechanicals [O] . Dr. Jingzhi Pu, Prof. Jiali Gao, Prof. Donald G. Truhlar -1

机译：密度泛函理论与分子力学相结合的广义混合轨道方法
7. Combined Electrostatically Embedded Multiconfiguration Molecular Mechanics and Molecular Mechanical Method: Application to Molecular Dynamics Simulation of a Chemical Reaction in Aqueous Solution with Hybrid Density Functional Theory [O] . Masahiro Higashi, Donald G. Truhlar 2008

机译：结合静电嵌入式多组分分子力学和分子力学方法：应用于混合密度泛函理论的水溶液化学反应分子动力学模拟

Electrostatically Embedded Multiconfiguration Molecular Mechanics Based on the Combined Density Functional and Molecular Mechanical Method

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