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Flexible-Boundary Quantum-Mechanical/Molecular-Mechanical Calculations: Partial Charge Transfer between the Quantum-Mechanical and Molecular-Mechanical Subsystems

机译：柔性边界量子 - 机械/分子机械计算：量子机械和分子机械子系统之间的部分电荷转移

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1. Flexible-boundary quantum-mechanical/molecular-mechanical calculations: Partial charge transfer between the quantum-mechanical and molecular-mechanical subsystems [J] . Zhang Y, Lin H Journal of chemical theory and computation: JCTC . 2008,第3期

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2. Self-Consistent Polarization of the Boundary in the Redistributed Charge and Dipole Scheme for Combined Quantum-Mechanical and Molecular-Mechanical Calculations [J] . Yan Zhang, Hai Lin, Donald G. Truhlar Journal of chemical theory and computation: JCTC . 2007,第4期

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3. Density-fragment interaction approach for quantum-mechanical/molecular-mechanical calculations with application to the excited states of a Mg2+-sensitive dye [J] . Fujimoto K, Yang WT The Journal of Chemical Physics . 2008,第5期

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6. Density-fragment interaction approach for quantum-mechanical∕molecular-mechanical calculations with application to the excited states of a Mg2+-sensitive dye [O] . Kazuhiro Fujimoto, Weitao Yang -1

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8. QUANTUM-MECHANICAL CALCULATIONS I. THE MODERN HUCKEL CALCULATION [R] . Mennitt, P. Gary, Giordano, Wally P 1965

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Flexible-Boundary Quantum-Mechanical/Molecular-Mechanical Calculations: Partial Charge Transfer between the Quantum-Mechanical and Molecular-Mechanical Subsystems

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