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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06 functionals and 12 other functionals

机译：用于主族热化学，热化学动力学，非共价相互作用，激发态和过渡元素的M06密度泛函套件：两个新的泛函以及对四个M06泛函和12个其他泛函的系统测试

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Yan Zhao; Donald G. Truhlar;
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1. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06 functionals and 12 other functionals [J] . Yan Zhao, Donald G. Truhlar Theoretical Chemistry Accounts . 2008,第5a6期

机译：M06一组密度泛函，适用于主族热化学，热化学动力学，非共价相互作用，激发态和跃迁元素：两个新的泛函以及对四个M06泛函和12个其他泛函的系统测试
2. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals [J] . Yan Zhao, Donald G.Truhlar Theoretical chemistry accounts . 2008,第1a3期

机译：M06密度官能团套件，用于主族热化学，热化学动力学，非共价相互作用，激发态和过渡元素：两个新功能以及对四个M06级功能和其他12个功能的系统测试
3. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals [J] . Yan Zhao, Donald G. Truhlar Theoretical Chemistry Accounts . 2008,第1a3期

机译：M06一组密度泛函，用于主族热化学，热化学动力学，非共价相互作用，激发态和跃迁元素：两项新功能以及对四个M06级功能和其他12个功能的系统测试
4. Potential and Orbital Functionals: Analytic Energy Gradients for OEP and Self-Interaction-Free Exchange-Correlation Energy Functional for Thermochemistry and Kinetics [C] . Weitao Yang Advances in Computational Methods in Sciences and Engineering 2005 vol.4B; Lecture Series on Computer and Computational Sciences; vol.4B . 2005

机译：势能和轨道功能：OEP的解析能梯度和热化学和动力学的无自相互作用交换相关能量能
5. APPROXIMATIONS IN DENSITY-FUNCTIONAL THEORY USING AN OPTIMIZED COMPOSITE EFFECTIVE POTENTIAL AND SIMPLE GRADIENT EXPANSIONS OF THE KINETIC AND EXCHANGE ENERGY DENSITY FUNCTIONALS. [D] . MOBAREK, OWAISH HARBI M. 1984

机译：使用优化的复合有效势和动能及交换能密度函数的简单梯度展开来逼近密度泛函理论。
6. Revised M06 density functional for main-group and transition-metal chemistry [O] . Ying Wang, Pragya Verma, Xinsheng Jin, 2018

机译：修订的M06密度函数可用于主族和过渡金属化学
7. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals [O] . 2008

机译：用于主体热化学，热化学动力学，非共价相互作用，激发态和跃迁元素的M06密度泛函套件：两个新的泛函以及对四个M06类泛函和12个其他泛函的系统测试

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06 functionals and 12 other functionals

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