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浏览/检索结果: 共6条，第1-6条 帮助 限定条件 学科主题：物理化学     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 Framework Stability and Bronsted Acidity of Isomorphously Substituted Interlayer-Expanded Zeolite COE-4: A Density Functional Theory Study 期刊论文 chemphyschem, 2014, 卷号: 15, 期号: 8, 页码: 1700-1707 作者:  Li, Haichao;  Zhou, Danhong;  Tian, Dongxu;  Shi, Chuan;  Mueller, Ulrich 收藏  |  浏览/下载：29/0  |  提交时间：2015/11/16 Bronsted acidity  density functional calculations  interlayer pore expansion  isomorphously substituted COE-4  lamellar zeolites   Six-dimensional potential energy surface of the dissociative chemisorption of HCl on Au(111) using neural networks 期刊论文 science china-chemistry, 2014, 卷号: 57, 期号: 1, 页码: 147-155 作者:  Liu TianHui;  Fu BiNa;  Zhang Dong H 收藏  |  浏览/下载：21/0  |  提交时间：2014/09/11 potential energy surface  DFT calculations  neural networks  wave packet  six-dimensional   Reaction mechanism for methanol oxidation on Au(1 1 1): A density functional theory study 期刊论文 applied surface science, 2013, 卷号: 265, 页码: 443-451 作者:  Liu, Shuping;  Jin, Peng;  Zhang, Donghui;  Hao, Ce;  Yang, Xueming 收藏  |  浏览/下载：18/0  |  提交时间：2013/10/11 Gold catalysis  Methanol  Oxidation  Esterification  Density functional calculations   Adsorption, reduction and storage of hydrogen within ZSM-5 zeolite exchanged with various ions: A comparative theoretical study 期刊论文 microporous and mesoporous materials, 2012, 卷号: 161, 页码: 168-178 作者:  Yang, Gang;  Zhou, Lijun;  Liu, Xianchun;  Han, Xiuwen;  Bao, Xinhe 收藏  |  浏览/下载：24/0  |  提交时间：2013/10/11 Adsorption capacity  Dispersion interactions  H-2 loading  Lewis acidity  Zeolite framework   Sequential adjacent Si dimer dechlorination mechanism of perchloroethylene adsorption on Si(100) with temperature evolution 期刊论文 Computational and Theoretical Chemistry, 2012, 期号: 999, 页码: 162—168 张秋菊，陈亮; Houyuan Wanga,b, Shihao Wei b, Qiuju Zhang a,⇑, Liang Chen a,⇑ 收藏  |  浏览/下载：9/0  |  提交时间：2013/12/16 Probing the structural and electronic properties of AgnH- (n=1-3) using photoelectron imaging and theoretical calculations 期刊论文 journal of chemical physics, 2012, 卷号: 136, 期号: 18, 页码: 1843121 作者:  Xie, Hua;  Xing, Xiaopeng;  Liu, Zhiling;  Cong, Ran;  Qin, Zhengbo 收藏  |  浏览/下载：11/0  |  提交时间：2013/10/11