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浏览/检索结果: 共5条，第1-5条 帮助 限定条件 专题：大连化学物理研究所    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 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 作者:  Zhu Zunwei;  Yang Qiaofeng;  Xu Zhenzhen;  Zhao Dongxia;  Fan Hongjun 收藏  |  浏览/下载：23/0  |  提交时间：2019/06/20 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 作者:  Li, Haichao;  Wang, Juan;  Zhou, Danhong;  Tian, Dongxu;  Shi, Chuan 收藏  |  浏览/下载：33/0  |  提交时间：2015/11/17 Lewis acidity  DFT calculations  Lamellar zeolite  Interlayer-expanded zeolite  COE-4   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 作者:  Yang, Gang;  Zhou, Lijun;  Han, Xiuwen 收藏  |  浏览/下载：30/0  |  提交时间：2015/11/13 Bronsted acidity  Lewis acidity  Density functional calculations  Adsorption energy  Probe molecules   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 作者:  Yang, ZZ;  Cong, Y;  Zhao, DX;  Wang, CC;  Bao, XH 收藏  |  浏览/下载：12/0  |  提交时间：2015/11/09 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 作者:  Cong, Y;  Yang, ZZ;  Wang, CS;  Liu, XC;  Bao, XH 收藏  |  浏览/下载：19/0  |  提交时间：2015/11/10