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Fukui Function and Local Softness Related to the Regioselectivity of Electrophilic Addition Reactions 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 34, 期号: 5, 页码: 519-527
Authors:  Zhu Zunwei;  Yang Qiaofeng;  Xu Zhenzhen;  Zhao Dongxia;  Fan Hongjun;  Yang Zhongzhi
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Fukui Function  Local Softness  Local Hard-soft And Acids-bases (Hsab) Principle  Electrophilic Addition Reactions  Finite Difference Approximation  Abeem Sigma Pi Model  
Anisotropic Coarse-Grained Model for Proteins Based On Gay-Berne and Electric Multipole Potentials 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 卷号: 10, 期号: 2, 页码: 731-750
Authors:  Shen, Hujun;  Li, Yan;  Ren, Pengyu;  Zhang, Dinglin;  Li, Guohui;  Li GH(李国辉)
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Gay-Berne and Electrostatic Multipole based Coarse Grained Model and Application with Polyalanine in Implicit Solvent 期刊论文
Journal of Chemical Physics, 2011, 卷号: 待补充, 期号: 待补充, 页码: 155104
Authors:  JohnnyWu;  XiaZhen;  Shen HJ(沈虎峻);  Li GH(李国辉);  PengyuRen
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Investigation of the regio- and stereoselectivity of Diels-Alder reactions by newly developed ABEEM sigma pi model on the basis of local HSAB principle and maximum hardness principle 期刊论文
CHEMICAL PHYSICS LETTERS, 2002, 卷号: 357, 期号: 1-2, 页码: 59-64
Authors:  Cong, Y;  Yang, ZZ;  Wang, CS;  Liu, XC;  Bao, XH
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Investigation of the regio- and stereoselectivity of Diels-Alder reactions by newly developed ABEEM σπ model on the basis of local HSAB principle and maximum hardness principle 期刊论文
Chemical Physics Letters, 2002, 卷号: 357, 页码: 59-64
Authors:  Cong Y(丛尧);  Yang ZZ(杨忠志);  Chang-Sheng Wang;  Liu XC(刘宪春);  Bao XH(包信和);  Cong Y(丛尧);  Yang ZZ(杨忠志);  Chang-Sheng Wang;  Liu XC(刘宪春);  Bao XH(包信和)
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