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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  
A salt-bridge switch in the molecular recognition between RS receptor and RGD ligand from the ABEEM sigma pi molecular dynamics simulations 期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 期号: 13-16, 页码: 1045-1055
Authors:  Zhang, Chao;  Zhao, Dong-Xia;  Wang, Qian;  Yu, Ling;  Li, Guo-Hui;  Yang, Zhong-Zhi
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Molecular Dynamics  Flexible Recognition  Polarisation Signal  Water-bridge  Binding Free Energy  
sigma pi scheme in atom-bond electronegativity equalization method 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2003, 卷号: 50, 期号: 3B, 页码: 785-794
Authors:  Yang, ZZ;  Cong, Y;  Zhao, DX;  Wang, CC;  Bao, XH
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Atom-bond  Electronegativity Equalization Method  Sigma Pi Scheme  Large Organic And Biological Molecules  
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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