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Generalized hybrid orbital (GHO) method for combining Ab initio Hartree-Fock wave functions with molecular mechanics

机译：用于结合ab initio Hartree-Fock波函数和分子力学的广义混合轨道（GHO）方法

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Jingzhi Pu; Jiali Gao; Donald G. Truhlar;
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年度 2004
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1. Generalized Hybrid Orbital (GHO) Method for Combining Ab Initio Hartree-Fock Wave Functions with Molecular Mechanics [J] . Jingzhi Pu, Jiali Gao, and Donald G. Truhlar The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2004,第4期

机译：从头算Hartree-Fock波函数与分子力学相结合的广义混合轨道（GHO）方法
2. Combining Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB)with Molecular Mechanics by the Generalized Hybrid Orbital (GHO)Method [J] . Jingzhi Pu, Jiali Gao, Donald G.Truhlar The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2004,第25期

机译：广义杂化轨道（GHO）方法将自洽电荷密度函数紧密结合（SCC-DFTB）与分子力学相结合
3. Combining Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB)with Molecular Mechanics by the Generalized Hybrid Orbital (GHO)Method [J] . Jingzhi Pu, Jiali Gao, Donald G.Truhlar The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2004,第25期

机译：广义杂化轨道（GHO）方法将自洽电荷密度函数紧密结合（SCC-DFTB）与分子力学相结合
4. Molecular Wave Function and Effective Adiabatic Potentials Calculated by Extended Multi-configuration Time-dependent Hartree-Fock Method [C] . Tsuyoshi Kato, Yoshihiro Ide, Kaoru Yamanouchi International Conference of Computational Methods in Sciences and Engineering . 2015

机译：通过扩展多配置时间依赖的Hartree-Fock方法计算的分子波函数和有效的绝热电位
5. Mixed ab initio quantum mechanics/molecular mechanics methods using frozen orbitals with applications to peptides and proteins. [D] . Philipp, Dean Michael. 1998

机译：使用冻结轨道的混合从头量子力学/分子力学方法，并应用于肽和蛋白质。
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. Combining Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) with Molecular Mechanics by the Generalized Hybrid Orbital (GHO) Method [O] . Jingzhi Pu, Jiali Gao, Donald G. Truhlar 2004

机译：用广义混合轨道（GHO）方法将自洽 - 电荷密度 - 功能紧束缚（sCC-DFTB）与分子力学相结合
8. Overview of Molecular Modelling and Ab initio Molecular Orbital Methods Suitable for Use with Energetic Materials [R] . Dorsett, H. , White, A. 2000

机译：适用于含能材料的分子模拟和从头算分子轨道方法概述

Generalized hybrid orbital (GHO) method for combining Ab initio Hartree-Fock wave functions with molecular mechanics

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