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5. QMMM studies of solution and surface reactions,a reaction coordinate-free approach

QMMM studies of solution and surface reactions,a reaction coordinate-free approach

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：woai6672690

【摘 要】

：

Many chemical reactions occur in solutions and it is important to understand how solvation affects their reaction mechanisms.QM/MM simulations serve as a powerf

【作 者】

：

J.Zhang C.W.Liu Y.Q.Gao 

【机 构】

：

CollegeofChemistryandMolecularEngineeringandBiodynamicsOpticalImagingCenter,PekingUniversity,P.R.Chi

【出 处】

：

The 15th ICQC International Congress of Quantum Chemistry(第1

【发表日期】

：

2015年6期

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Many chemical reactions occur in solutions and it is important to understand how solvation affects their reaction mechanisms.QM/MM simulations serve as a powerful tool for studies of chemical reactions in complex environment.

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