×
验证码:
换一张
忘记密码?
记住我
CORC
首页
科研机构
检索
知识图谱
申请加入
托管服务
登录
注册
在结果中检索
科研机构
金属研究所 [13]
中国科学院大学 [6]
北京大学 [3]
近代物理研究所 [3]
厦门大学 [2]
物理研究所 [2]
更多...
内容类型
期刊论文 [40]
发表日期
2009 [40]
学科主题
Chemistry,... [1]
光电子学 [1]
半导体物理 [1]
×
知识图谱
CORC
开始提交
已提交作品
待认领作品
已认领作品
未提交全文
收藏管理
QQ客服
官方微博
反馈留言
浏览/检索结果:
共40条,第1-10条
帮助
限定条件
发表日期:2009
已选(
0
)
清除
条数/页:
5
10
15
20
25
30
35
40
45
50
55
60
65
70
75
80
85
90
95
100
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
Effective ONIOM schemes for modeling MCM-22 zeolite
期刊论文
http://dx.doi.org/10.1016/j.theochem.2009.09.010, 2009
Li, Yan
;
Guo, Wenping
;
Yuan, Shuping
;
Fan, Weibin
;
Wang, Jianguo
;
Jiao, Haijun
;
李炎
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/07/22
DENSITY-FUNCTIONAL THEORY
BRIDGING HYDROXYL-GROUPS
AB-INITIO
ACID SITES
VIBRATIONAL FREQUENCIES
THEORETICAL CALCULATION
PYRIDINE ADSORPTION
AMINES ADSORPTION
MAS NMR
ZSM-5
Crystal-field parameters from ab initio calculations
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2009, 卷号: 488, 页码: 591-594
作者:
Reid, Michael F.
;
Duan, Chang-Kui
;
Zhou, Hongwei
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2018/05/31
Crystal-field, Ab initio, Lanthanide
Rare-earth
Polarization effects on quantum levels in InN/GaN quantum wells
期刊论文
http://dx.doi.org/10.1088/0957-4484/20/48/485204, 2009
Lin, W.
;
Li, S. P.
;
Kang, J. Y.
;
康俊勇
;
李书平
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2013/12/12
TOTAL-ENERGY CALCULATIONS
LIGHT-EMITTING-DIODES
WAVE BASIS-SET
SEMICONDUCTORS
NITRIDES
A theoretical model study on the cyclic reaction of 4-hydroxybutanal catalyzed by bronsted acid
期刊论文
Canadian journal of chemistry-revue canadienne de chimie, 2009, 卷号: 87, 期号: 11, 页码: 1610-1619
作者:
Meng, Qingyong
;
Zhang, Chenggen
;
Huang, Ming-Bao
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2019/05/10
Cyclic reaction of 4-hydroxybutanal
Catalyzed by bronsted acid
B3lyp
Self-consistent isodensity polarized continuum model (scipcm) model study
Dielectronic recombination of Co-like tantalum
期刊论文
CHINESE PHYSICS B, 2009, 卷号: 18, 页码: 3409-3413
作者:
Zhou Li
;
Meng Fan-Chang
;
Huang Min
;
Chen Chong-Yang
;
Wang Yan-Sen
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2018/05/31
dielectronic recombination
rate coefficient
Co-like tantalum
Assignment of the Absolute Configuration of Concentricolide - Absolute Configuration Determination of Its Bioactive Analogs Using DFT Methods
期刊论文
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2009, 期号: 23, 页码: 3987-3991
作者:
Ren, Jie
;
Jiang, Ju-Xing
;
Li, Liang-Bo
;
Liao, Tou-Geng
;
Tian, Ren-Rong
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2012/04/05
Configuration determination
Biological activity
Density functional calculations
Chirality
Circular dichroism
The absorption, emission spectra as well as ground and excited states calculations of some dimethine cyanine dyes
期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 卷号: 906, 页码: 50-55
作者:
Zhang, Xiang-Han
;
Wang, Lan-Ying
;
Zhai, Gao-Hong
;
Wen, Zhen-Yi
;
Zhang, Zu-Xun
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2018/05/31
Dimethine cyanine dye
Ground and excited state calculation
Electronic absorption spectrum
Electronic emission spectrum
Solvent effect
High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti3AlC2
期刊论文
JOURNAL OF APPLIED PHYSICS, 2009, 卷号: 106, 期号: 1, 页码: 5
作者:
Zhang, Haibin
;
Wu, Xiang
;
Nickel, Klaus Georg
;
Chen, Jixin
;
Presser, Volker
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2021/02/02
ab initio calculations
elastic moduli
electronic structure
equations of state
high-pressure effects
lattice constants
space groups
titanium compounds
X-ray diffraction
High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti3AlC2
期刊论文
JOURNAL OF APPLIED PHYSICS, 2009, 卷号: 106, 期号: 1, 页码: 5
作者:
Zhang, Haibin
;
Wu, Xiang
;
Nickel, Klaus Georg
;
Chen, Jixin
;
Presser, Volker
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2021/02/02
ab initio calculations
elastic moduli
electronic structure
equations of state
high-pressure effects
lattice constants
space groups
titanium compounds
X-ray diffraction
High-pressure powder x-ray diffraction experiments and ab initio calculation of Ti3AlC2
期刊论文
JOURNAL OF APPLIED PHYSICS, 2009, 卷号: 106, 期号: 1, 页码: 5
作者:
Zhang, Haibin
;
Wu, Xiang
;
Nickel, Klaus Georg
;
Chen, Jixin
;
Presser, Volker
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2021/02/02
ab initio calculations
elastic moduli
electronic structure
equations of state
high-pressure effects
lattice constants
space groups
titanium compounds
X-ray diffraction
©版权所有 ©2017 CSpace - Powered by
CSpace