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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  
Structural stability and Lewis acidity of tetravalent Ti, Sn, or Zr-linked interlayer-expanded zeolite COE-4: A DFT study 期刊论文
MICROPOROUS AND MESOPOROUS MATERIALS, 2015, 卷号: 218, 页码: 160-166
Authors:  Li, Haichao;  Wang, Juan;  Zhou, Danhong;  Tian, Dongxu;  Shi, Chuan;  Mueller, Ulrich;  Feyen, Mathias;  Gies, Hermann;  Xiao, Feng-Shou;  De Vos, Dirk;  Yokoi, Toshiyuki;  Bao, Xinhe;  Zhang, Weiping
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Lewis Acidity  Dft Calculations  Lamellar Zeolite  Interlayer-expanded Zeolite  Coe-4  
Recombination of Formaldehyde and Hydrogen Atoms on TiO2(110) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 卷号: 119, 期号: 2, 页码: 1170-1174
Authors:  Mao, Xinchun;  Wei, Dong;  Wang, Zhiqiang;  Jin, Xianchi;  Hao, Qunqing;  Ren, Zefeng;  Dai, Dongxu;  Ma, Zhibo;  Zhou, Chuanyao;  Yang, Xueming;  Ma ZB(马志博);  Zhou CY(周传耀);  Yang XM(杨学明)
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Theoretical Study on the UVR8 Photoreceptor: Sensing Ultraviolet B by Tryptophan and Dissociation of Homodimer 期刊论文
Journal of Chemical Theory and Computation, 2014, 卷号: 10, 期号: 8, 页码: 3319
Authors:  Li X(李欣);  LungWaChung;  KeijiMorokuma;  Li GH(李国辉)
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Graphene oxide for cellulose hydrolysis: how it works as a highly active catalyst? 期刊论文
CHEMICAL COMMUNICATIONS, 2014, 卷号: 50, 期号: 26, 页码: 3439-3442
Authors:  Zhao, Xiaochen;  Wang, Jia;  Chen, Chengmeng;  Huang, Yanqiang;  Wang, Aiqin;  Zhang, Tao;  Wang AQ(王爱琴);  Zhang T(张涛)
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Triblock polymer mediated synthesis of Ir–Sn oxide electrocatalysts for oxygen evolution reaction 期刊论文
Journal of Power Sources, 2014, 卷号: 249, 页码: 175
Authors:  李光福;  俞红梅;  王浚英;  杨冬蕾;  李永坤;  邵志刚;  衣宝廉
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Theoretical Elucidation of the Origin for Assembly of the DAP12 Dimer with Only One NKG2C in the Lipid Membrane 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 17, 页码: 4789-4797
Authors:  Sun, Hui;  Chu, Huiying;  Fu, Ting;  Shen, Hujun;  Li, Guohui;  Li GH(李国辉)
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Mesoporous Ti-W oxide: synthesis, characterization, and performance in selective hydrogenolysis of glycerol 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2013, 卷号: 1, 期号: 11, 页码: 3724-3732
Authors:  Zhang, Yanhua;  Zhao, Xiao-Chen;  Wang, Yao;  Zhou, Likun;  Zhang, Junying;  Wang, Jia;  Wang, Aiqin;  Zhang, Tao;  Zhang T(张涛)
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Lewis and Bronsted acidic sites in M4+-doped zeolites (M = Ti, Zr, Ge, Sn, Pb) as well as interactions with probe molecules: A DFT study 期刊论文
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 2012, 卷号: 363, 页码: 371-379
Authors:  Yang, Gang;  Zhou, Lijun;  Han, Xiuwen
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Bronsted Acidity  Lewis Acidity  Density Functional Calculations  Adsorption Energy  Probe Molecules  
Force reversed method for locating transition states 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2012, 卷号: 131, 期号: 2, 页码: 11181
Authors:  Sun, Keju;  Zhao, Yonghui;  Su, Hai-Yan;  Li, Wei-Xue;  Li WX(李微雪)
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Potential Energy Surface  Force Reversed Method  Locating Transition States