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浏览/检索结果: 共21条，第1-10条 帮助 限定条件 学科主题：物理化学    发表日期：2013     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 Catalytic properties of extraframework iron-containing species in ZSM-5 for N2O decomposition 期刊论文 journal of catalysis, 2013, 卷号: 308, 页码: 386-397 作者:  Li, Guanna;  Pidko, Evgeny A.;  Filot, Ivo A. W.;  van Santen, Rutger A.;  Li, Can 收藏  |  浏览/下载：17/0  |  提交时间：2014/09/11 Fe/ZSM-5  DFT calculations  Zeolite  Reaction mechanism  Binuclear complexes  N2O decomposition  Microkinetic modeling   Band-Gap States of TiO2(110): Major Contribution from Surface Defects 期刊论文 journal of physical chemistry letters, 2013, 卷号: 4, 期号: 22, 页码: 3839-3844 作者:  Mao, Xinchun;  Lang, Xiufeng;  Wang, Zhiqiang;  Hao, Qunqing;  Wen, Bo 收藏  |  浏览/下载：24/0  |  提交时间：2014/09/11 Intramolecular charge transfer and sensing mechanism for a colorimetric fluoride sensor based on 1,8-naphthalimide derivatives 期刊论文 theoretical chemistry accounts, 2013, 卷号: 133, 期号: 1, 页码: 1411 作者:  Chen, Jun-Sheng;  Liu, Run-Ze;  Yang, Yang;  Chu, Tian-Shu 收藏  |  浏览/下载：60/0  |  提交时间：2014/09/11 Colorimetric sensor  Sensing mechanism  Density functional calculations  Desilylation reaction  Intramolecular charge transfer (ICT)  Naphthalimide   Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface 期刊论文 journal of chemical physics, 2013, 卷号: 139, 期号: 18, 页码: 184705 作者:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H. 收藏  |  浏览/下载：21/0  |  提交时间：2014/09/11 DFT Study on the NMR Chemical Shifts of Molecules Confined in Carbon Nanotubes 期刊论文 journal of physical chemistry c, 2013, 卷号: 117, 期号: 44, 页码: 23418-23424 作者:  Ren, Pengju;  Zheng, Anmin;  Pan, Xiulian;  Han, Xiuwen;  Bao, Xinhe 收藏  |  浏览/下载：18/0  |  提交时间：2014/09/11 Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC 期刊论文 journal of the american chemical society, 2013, 卷号: 135, 期号: 44, 页码: 16284-16287 作者:  Liu, Jin-Xun;  Su, Hai-Yan;  Sun, Da-Peng;  Zhang, Bing-Yan;  Li, Wei-Xue 收藏  |  浏览/下载：32/0  |  提交时间：2014/09/11 Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method 期刊论文 computational and theoretical chemistry, 2013, 卷号: 1023, 页码: 10-18 作者:  Fan, Guohong;  Liu, Jianyong;  He, Guozhong 收藏  |  浏览/下载：15/0  |  提交时间：2014/09/11 Nonadiabatic dynamics  Photo-isomerization  Zhu-Nakamura theory  Bridged-azobenzene  Time-dependent density functional tight-binding method   Growth of single- and bilayer ZnO on Au(111) and interaction with copper 期刊论文 abstracts of papers of the american chemical society, 2013, 卷号: 246, 期号: 21, 页码: 11211-11218 作者:  Deng, Xingyi;  Yao, Kim;  Sun, Keju;  Li, Wei-Xue;  Lee, Junseok 收藏  |  浏览/下载：28/0  |  提交时间：2013/10/11 Molecular Design of UV-vis Absorption and Emission Properties in Organic Fluorophores: Toward Larger Bathochromic Shifts, Enhanced Molar Extinction Coefficients, and Greater Stokes Shifts 期刊论文 journal of physical chemistry c, 2013, 卷号: 117, 期号: 32, 页码: 16584-16595 作者:  Liu, Xiaogang;  Xu, Zhaochao;  Cole, Jacqueline M. 收藏  |  浏览/下载：17/0  |  提交时间：2014/09/11 Nonheme Iron Oxidant Formed in the Presence of H2O2 and Acetic Acid Is the Cyclic Ferric Peracetate Complex, Not a Perferryloxo Complex 期刊论文 acs catalysis, 2013, 卷号: 3, 期号: 6, 页码: 1334-1341 作者:  Wang, Yong;  Janardanan, Deepa;  Usharani, Dandamudi;  Han, Keli;  Que, Lawrence, Jr. 收藏  |  浏览/下载：17/0  |  提交时间：2014/09/11 nonheme iron  C-H activation  density functional calculations  oxometal  O-O homolysis