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科研机构
福州大学 [10]
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期刊论文 [10]
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专题:福州大学
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Structures and Chemical Bonding in NbSn2-/-/0 (n=3-5) Clusters: Effects of Sulfur Content and Charge States
期刊论文
JOURNAL OF CLUSTER SCIENCE, 2016, 卷号: 27, 页码: 387-401
作者:
Wang, Bin
;
Li, Qian-Qian
;
Wang, Jian-Fu
;
Huang, Xin
;
Zhang, Yong-Fan
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/11/21
Simulated photoelectron spectroscopy
Niobium sulfide cluster
Chemical bonding
Density functional theory
Carbon Nanotubes with Tailored Density of Electronic States for Electrochemical Applications
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2015, 卷号: 7, 页码: 25793-25803
作者:
Song, Yingpan
;
Hu, Huifang
;
Feng, Miao
;
Zhan, Hongbing
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/11/21
carbon nanotube derivatives
density of electronic states
Fermi level graphite concentration
redox probes
biomolecules newborn calf serum
A computational investigation of CO oxidation on ruthenium-embedded hexagonal boron nitride nanosheet
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2013, 卷号: 1011, 页码: 5-10
作者:
Huang, Caijin
;
Ye, Xinxin
;
Chen, Cheng
;
Lin, Sen
;
Xie, Daiqian
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/11/21
First principle
Reaction mechanism
Adsorption
Density of states
Ru-embedded h-BN
CO oxidation
Density Functional Study on Relative Energies, Structures, and Bonding of Low-lying Electronic States of Lutetium Dimer
期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 22, 页码: 371-379
作者:
Xia, Qiong-qiong
;
Xiao, Wei
;
Zhang, Yong-fan
;
Ning, Li-xin
;
Cui, Zhi-feng
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/11/26
Hartree-Fock exchange
Covalent bonding
Relativistic effective core pseudopotential
Lutetium dimer
Density functional theory
Density functional theory study on electronic structure of N-doped ln(2)O(3)
期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2008, 卷号: 866, 页码: 75-78
作者:
Liu, San-bing
;
Li, Jun-qian
;
Zhang, Yong-fan
;
Xu, Xiang-lan
;
Chen, Zhan-hong
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/11/26
Formation energies
Spin-unrestricted
Density of states
Density functional theory calculations
Electronic structure
DFT studies on electronic structures of boro-nitride-carbon nanotubes
期刊论文
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2005, 卷号: 24, 页码: 655-660
作者:
Yan, M
;
Huang, CH
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  |  
浏览/下载:5/0
  |  
提交时间:2019/11/26
DFT-ROB3LYP
bonding
Boro-Nitride-Carbon nanotubes
density of states
A density functional study on the electronic structures and mechanic property of MX (M=Sc, Ti, V; X=C, N, O) solids
期刊论文
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2001, 卷号: 22, 页码: 460-464
作者:
Li, JQ
;
Zhang, YF
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/11/26
bulk modulus
energy band structure
X=C, N, O) compounds density functional theory
density of states
MX (M=Sc, Ti, V
Theoretical study on the electronic structures for the surfaces of NbC solid
期刊论文
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2001, 卷号: 20, 页码: 494-500
作者:
Zhang, YF
;
Li, JQ
;
Xing, SC
;
Zhou, LX
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/11/26
band structures
transition metal carbides
photoemission spectra
surface adsorption
density of state(DOS)
density functional theory(DFT)
surface states
A density functional study on the electronic structures of TiN solid
期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2000, 卷号: 18, 页码: 286-293
作者:
Li, JQ
;
Zhang, YF
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/11/26
elastic constants
band structure
density functional theory
transition metal mononitrides
density of state (DOS)
surface states
A density functional study on the electronic structures of TiX (X = C, N, O). Part I. The electronic structures and bonding properties of TiN bulk and (001) surface
期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 卷号: 530, 页码: 209-216
作者:
Li, JQ
;
Zhang, YF
;
Xiang, SC
;
Chiu, YN
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/11/26
elastic constants
band structure
density functional theory
transition metal mononitrides
density of state (DOS)
surface states
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