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科研机构
厦门大学 [29]
内容类型
期刊论文 [28]
学位论文 [1]
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2014 [1]
2013 [3]
2012 [4]
2009 [1]
2007 [2]
2006 [1]
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专题:厦门大学
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A time-dependent density-functional theory and complete active space self-consistent field method study of vibronic absorption and emission spectra of coumarin
期刊论文
http://dx.doi.org/10.1063/1.4885845, 2014
Li, Junfeng
;
Rinkevicius, Zilvinas
;
Cao, Zexing
;
曹泽星
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
Density functional theory
PANI-SnP复合膜电极在镍镉废水中电控离子交换性能
期刊论文
http://electrochem.xmu.edu.cn/CN/abstract/abstract9981.shtml, 2013
冯艳婷
;
肖俊强
;
郝晓刚
;
马旭莉
;
王忠德
;
韩念琛
;
Feng Yan-ting
;
Xiao Jun-qiang
;
Hao Xiao-gang
;
Ma Xu-li
;
Wang Zhong-de
;
Han Nian-chen
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2013/11/18
电化学控制离子交换
电活性聚苯胺-磷酸锡
复合膜材料
镉(II)分离
electrochemically switched ion exchange
electroactive PANI-SnP
composite film
Cd(II) separation
Effects of O-2 pressure on the oxidation of VOx/Pt(111)
期刊论文
http://dx.doi.org/10.1039/c3cp50712b, 2013
Tang, Zhenyan
;
Wang, Shaolin
;
Zhang, Lihua
;
Ding, Ding
;
Chen, Mingshu
;
Wan, Huilin
;
陈明树
;
万惠霖
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/07/22
V2O3(0001) SURFACE TERMINATIONS
MODE PHOTOELECTRON DIFFRACTION
VANADIA-BASED CATALYSTS
STRUCTURAL-CHARACTERIZATION
THIN-FILMS
OXIDE NANOSTRUCTURES
ELECTRONIC-STRUCTURE
MOLECULAR-STRUCTURE
METHANOL OXIDATION
RAMAN-SPECTROSCOPY
On the Hopping Efficiency of Nanoparticles in the Electron Transfer across Self-Assembled Monolayers
期刊论文
http://dx.doi.org/10.1002/cphc.201200901, 2013
Liu, Feng
;
Khan, Kamran
;
Liang, Jing-Hong
;
Yan, Jia-Wei
;
Wu, De-Yin
;
Mao, Bing-Wei
;
Jensen, Palle Skovhus
;
Zhang, Jingdong
;
Ulstrup, Jens
;
吴德印
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/07/22
METAL NANOPARTICLES
GOLD NANOPARTICLES
CYTOCHROME-C
SURFACES
SYSTEMS
VOLTAMMETRY
FILMS
Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)(n)(-) (n=1-3): Experiment and theory
期刊论文
http://dx.doi.org/10.1063/1.4768004, 2012
Liu, Zhiling
;
Xie, Hua
;
Qin, Zhengbo
;
Cong, Ran
;
Wu, Xia
;
Tang, Zichao
;
Lu, Xin
;
He, Jian
;
何坚
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/07/22
VALENCE PHOTOEMISSION SPECTRA
COLLISION-INDUCED DISSOCIATION
DENSITY-FUNCTIONAL THEORY
ELECTRONIC-STRUCTURES
RAMAN-SPECTROSCOPY
BINDING-ENERGIES
BASIS-SETS
CO
PD
ATOMS
Using Photoelectron Spectroscopy and Quantum Mechanics to Determine d-Band Energies of Metals for Catalytic Applications
期刊论文
http://dx.doi.org/10.1021/jp303276z, 2012
Hofmann, Timo
;
Yu, Ted H.
;
Folse, Michael
;
Weinhardt, Lothar
;
Baer, Marcus
;
Zhang, Yufeng
;
Merinov, Boris V.
;
Myers, Deborah J.
;
Goddard, William A., III
;
Heske, Clemens
;
张宇
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2015/07/22
OXYGEN REDUCTION REACTION
X-RAY PHOTOEMISSION
PALLADIUM ALLOY ELECTROCATALYSTS
PHOTOIONIZATION CROSS-SECTIONS
SURFACE ELECTRONIC-STRUCTURE
DENSITY-FUNCTIONAL THEORY
SINGLE-CRYSTAL SURFACES
MEAN FREE PATHS
VALENCE BANDS
NOBLE-METALS
Enhancement of bandgap emission of Pt-capped MgZnO films: Important role of light extraction versus exciton-plasmon coupling
期刊论文
2012
Yang, W. F.
;
Xie, Y. N.
;
Liao, R. Y.
;
Sun, J.
;
Wu, Z. Y.
;
吴正云
;
Wong, L. M.
;
Wang, S. J.
;
Wang, C. F.
;
Lee, Alex Y. S.
;
Gong, H.
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2013/03/21
Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)n- (n 1-3): Experiment and theory
期刊论文
http://dx.doi.org/10.1063/1.4768004, 2012
Liu, Zhiling
;
Xie, Hua
;
Qin, Zhengbo
;
Cong, Ran
;
Wu, Xia
;
Tang, Zichao
;
Lu, Xin
;
He, Jian
;
何坚
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
Density functional theory
Negative ions
Photoelectron spectroscopy
Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics
期刊论文
2009
Zhang, Ying
;
Xu, Xin
;
徐昕
;
Goddard, William A., III(CALTECH, Mat & Proc Simulat Ctr 139 74)
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2011/04/26
Becke 3-parameter hybrid functional combined with Lee-Yang-Parr correlation functional
density functional theory
generalized gradient approximation
local density approximation
mean absolute deviation
Theoretical study on the singlet excited state of pterin and its deactivation pathway
期刊论文
2007
Chen, Xing
;
Xu, Xuefei
;
Cao, Zexing
;
曹泽星
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2011/05/30
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