机构

• 生态环境研究中心 [3]
• 福建物质结构研究所 [2]
• 高能物理研究所 [2]
• 金属研究所 [1]
• 化学研究所 [1]
• 大连化学物理研究所 [1]
• 更多

采集方式

• OAI收割 [10]
• iSwitch采集 [1]

内容类型

• 期刊论文 [10]
• 会议论文 [1]

发表日期

• 2019 [1]
• 2018 [2]
• 2014 [2]
• 2013 [1]
• 2010 [2]
• 2004 [3]
• 更多

学科主题

筛选

浏览/检索结果: 共11条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择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发表日期升序发表日期降序 Boosting the rate capability of multichannel porous TiO2 nanofibers with well-dispersed Cu nanodots and Cu2+-doping derived oxygen vacancies for sodium-ion batteries 期刊论文  OAI收割 NANO RESEARCH, 2019, 卷号: 12, 期号: 9, 页码: 2211-2217 作者:  Wu, Ying;  Wei, Zengxi;  Xu, Rui;  Gong, Yue;  Gu, Lin   |  收藏  |  浏览/下载：77/0  |  提交时间：2019/12/02 multichannel porous TiO2 nanofibers  Cu nanodots  Cu2+ doping  sodium ion batteries  density functional theory (DFT) calculations   Highly delocalized endohedral metal in gd@c-2v(9)-c-82 metallofullerenes co-crystallized with alpha-s-8 期刊论文  iSwitch采集 Nano research, 2018, 卷号: 11, 期号: 4, 页码: 2277-2284 作者:  Li, Cheng;  Gao, Xuejiao J.;  Yao, Huanli;  Huang, Huan;  Cui, Rongli 收藏  |  浏览/下载：135/0  |  提交时间：2019/04/23 Metallofullerenes  Sulfur  Structure elucidation  Delocalization  Density functional theory (dft) calculations   Highly delocalized endohedral metal in Gd@C-2v(9)-C-82 metallofullerenes co-crystallized with alpha-S-8 期刊论文  OAI收割 NANO RESEARCH, 2018, 卷号: 11, 期号: 4, 页码: 2277-2284 作者:  Yao HL(要换丽);  Li, C;  Li C(李成);  Sun, BY;  Feng, L   |  收藏  |  浏览/下载：90/0  |  提交时间：2019/09/24 metallofullerenes  sulfur  structure elucidation  delocalization  density functional theory (DFT) calculations   Assessing Catalytic Activities Through Modeling Net Charges of Iron Complex Precatalysts 期刊论文  OAI收割 MACROMOLECULAR CHEMISTRY AND PHYSICS, 2014, 卷号: 215, 期号: 18, 页码: 1810-1817 作者:  Yang, Wenhong;  Chen, Yan;  Sun, Wen-Hua   |  收藏  |  浏览/下载：15/0  |  提交时间：2019/04/09 Density Functional Theory (Dft) Calculations  Polyethylene  Reaction Activity  Transition Metal Catalysts   Assessing Catalytic Activities Through Modeling Net Charges of Iron Complex Precatalysts 期刊论文  OAI收割 Macromolecular Chemistry and Physics, 2014, 卷号: 215, 期号: 18, 页码: 1810-1817 作者:  Yang, Wenhong;  Chen, Yan;  Sun WH(孙文华) 收藏  |  浏览/下载：18/0  |  提交时间：2017/03/01 density functional theory (DFT) calculations  polyethylene  reaction activity  transition metal catalysts   Evolution of the structure and electronic properties of neutral and anion FeSn mu (n=1-7, mu=0,-1) clusters: A comprehensive analysis 期刊论文  OAI收割 Journal of Alloys and Compounds, 2013, 卷号: 573, 页码: 133-141 L. P. Ding; X. Y. Kuang; P. Shao; M. M. Zhong 收藏  |  浏览/下载：14/0  |  提交时间：2013/12/24 Density functional theory  Photoelectron spectroscopy  Fe-S clusters  Structural and electronic properties  density-functional theory  iron-sulfur clusters  photoelectron-spectroscopy  angstrom resolution  correlation-energy  transition-metals  crystal-structure  dft calculations  ferredoxin-i  spectra   A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface 期刊论文  OAI收割 Chinese Journal of Catalysis, 2010, 卷号: 31, 期号: 1, 页码: 49-55 Z. H. Chen, K. N. Ding, X. L. Xu and J. Q. Li 收藏  |  浏览/下载：13/0  |  提交时间：2012/11/02 2-chlorothiophene  rhodium  density functional theory  adsorption  slab  model  total-energy calculations  pd(100) surfaces  thiophene  ni(100)  cu(100)  3-chlorothiophene  molecules  exchange  pd(111)  dft   pi-pi INTERACTION IN BENZENE DIMER STUDIED USING DENSITY FUNCTIONAL THEORY AUGMENTED WITH AN EMPIRICAL DISPERSION TERM 期刊论文  OAI收割 Journal of Theoretical & Computational Chemistry, 2010, 卷号: 9, 页码: 109-123 C. Feng, C. S. Lin, X. H. Zhang and R. Q. Zhang 收藏  |  浏览/下载：36/0  |  提交时间：2012/11/02 pi-pi interaction  density functional theory (DFT)  dispersion force  benzene dimer  van-der-waals  potential-energy surface  aromatic-aromatic interactions  stacking interactions  ccsd(t) calculations  molecular clusters  coupled-cluster  systems  complexes  model   Mechanism of the selective catalytic reduction of NOx by C2H5OH over Ag/Al2O3 期刊论文  OAI收割 APPLIED CATALYSIS B-ENVIRONMENTAL, 2004, 卷号: 49, 期号: 3, 页码: 159-171 作者:  Yu, YB;  He, H;  Feng, QC;  Gao, HW;  Yang, X 收藏  |  浏览/下载：14/0  |  提交时间：2015/11/04 selective catalytic reduction (SCR)  NOx  in situ DRIFTS  alumina supported silver  C2H5OH  enolic species  acetate  density functional theory (DFT) calculations   A comparative study of Ag/Al2O3 and Cu/Al2O3 catalysts for the selective catalytic reduction of NO byC(3)H(6) 会议论文  OAI收割 3rd Asia-Pacific Congress on Catalysis, Dalian, PEOPLES R CHINA, OCT 12-15, 2003 作者:  He, H;  Zhang, CB;  Yu, YB 收藏  |  浏览/下载：11/0  |  提交时间：2016/01/14 selective catalytic reduction of NO (SCR of NO)  enolic species  Ag/Al2O3  in situ DRIFTS  TPD  density functional theory (DFT) calculations