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Adjusted connection atoms for combined quantum mechanical and molecular mechanical methods

机译：调整后的连接原子，用于量子力学和分子力学的组合方法

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Antes Iris; Thiel Walter;
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年度 1999
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正文语种 eng
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1. Adjusted Connection Atoms for Combined Quantum Mechanical and Molecular Mechanical Methods [J] . Iris Antes, Walter Thiel The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 1999,第46期

机译：结合量子力学和分子力学方法的调节连接原子
2. Generalized hybrid orbital for the treatment of boundary atoms in combined quantum mechanical and molecular mechanical calculations using the semiempirical parameterized model 3 method [J] . Garcia-Viloca M., Gao JL. Theoretical chemistry accounts . 2004,第2a6期

机译：使用半经验参数化模型3方法在量子力学和分子力学的组合计算中处理边界原子的广义混合轨道
3. Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method [J] . Debananda Das, Kirsten P. Eurenius, Eric M. Billings, The Journal of Chemical Physics . 2002,第23期

机译：量子力学分子机械分配方案的优化：分子机械电荷的高斯离域和双键原子法
4. Molecular Modeling for Generation of Structural and Molecular Electronic Descriptors for QSAR Using Quantum Mechanical Semiempirical and ab initio Methods [C] . Mohd. Shahid Khan, Zahid H. Khan International Conference on Genome Informatics . 2003

机译：用量子机械半血流和AB Initio方法对QSAR产生结构和分子电子描述夹的分子建模
5. Development of Fragment-based Quantum Mechanical Methods and Combined Quantum Mechanical and Molecular Mechanical Methods. [D] . Wang, Yingjie. 2014

机译：基于片段的量子力学方法以及量子力学和分子力学组合方法的发展。
6. Parametrization of Combined Quantum Mechanical and Molecular Mechanical Methods: Bond-Tuned Link Atoms [O] . Xin-Ping Wu, Laura Gagliardi, Donald G. Truhlar 2018

机译：组合量子力学和分子力学方法的参数化：键调谐链接原子
7. Adjusted Connection Atoms for Combined Quantum Mechanical and Molecular Mechanical Methods [O] . Antes I., Thiel W. 1999

机译：用于组合量子力学和分子力学方法的调整连接原子
8. Theoretical study of ion/macrocycle interactions using both hybrid quantum mechanical-molecular mechanical and ab initio methods [R] . Thompson, MA, Glendening, ED, Feller, D, 1995

机译：用混合量子力学 - 分子力学和从头算方法研究离子/大环相互作用的理论研究

Adjusted connection atoms for combined quantum mechanical and molecular mechanical methods

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