×
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 [5]
山东大学 [2]
厦门大学 [1]
上海电子信息职业技术... [1]
内容类型
期刊论文 [9]
发表日期
2017 [3]
2013 [1]
2008 [1]
2007 [2]
2005 [2]
×
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9条,第1-9条
帮助
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
Cu-wire-mediated dipyrimidine base pairs as the building blocks for conductive and magnetic Cu-DNA nanowires
期刊论文
JOURNAL OF MATHEMATICAL CHEMISTRY, 2017, 卷号: 55, 期号: 6, 页码: 1301-1321
作者:
Lu, Nan
;
Bu, Yuxiang
;
Luo, Guimei
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/12
Dipyrimidine
Metalized DNA
Spin delocalization
Orbital composition
Density functional theory
Computational design of three Cu-induced triangular pyrimidines based DNA motifs with improved conductivity
期刊论文
CANADIAN JOURNAL OF CHEMISTRY, 2017, 卷号: 95, 期号: 5, 页码: 571-579
作者:
Lu, Nan
;
Bu, Yuxiang
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/12
triangular pyrimidines
metal introduction
electron delocalization
spin density distribution
density functional theory
Insights on spin delocalization and spin polarization mechanisms in crystals of azido copper(II) dinuclear complexes through the electron spin density Source Function
期刊论文
ACTA CRYSTALLOGRAPHICA. SECTION B, STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS, 2017, 卷号: Vol.73 No.4, 页码: 565-583
作者:
G.Macetti
;
L.LoPresti
;
C.Gatti
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/24
polarized
neutron
diffraction
Source
Function
spin
delocalization
spin
density
spin
density
quality
spin
information
transmission
spin
polarization
Electronic,
Optical
and
Magnetic
Materials
Atomic
and
Molecular
Physics,
and
Optics
2506
Materials
Chemistry
Metals
and
Alloys
Remote substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)2(5-C5H5) and p-G-C6H4SFe(CO)2(5-C5H5) studied using Hartree-Fock and density functional theory methods
期刊论文
http://dx.doi.org/10.1002/poc.3152, 2013
Zeng, Qing
;
Li, Zucheng
;
Dong, Ling
;
Han, Daxiong
;
Wang, Rufeng
;
Li, Xiangri
;
Bai, Genben
;
韩大雄
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
DISSOCIATION-ENERGIES
C-H
ORGANOMETALLIC COMPOUNDS
SPIN-DELOCALIZATION
THIOLATE COMPLEXES
PHENOXYL RADICALS
BINDING-ENERGIES
METAL-LIGAND
N-H
PARASUBSTITUTED PHENOLS
First-principles studies: Thiolated AU(2)Cr and AU(6)Cr clusters
期刊论文
Physica E-Low-Dimensional Systems & Nanostructures, 2008, 卷号: 40, 期号: 10, 页码: 3193-3198
K. L. Yao
;
Y. Min
;
Z. L. Liu
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2012/04/13
density functional calculations
cluster
spin delocalization
spin
polarization
self-assembled monolayers
small gold clusters
hydrogen storage
electron-transport
carbon nanotubes
room-temperature
methanethiol
adsorption
surface
nanoparticle
First-principles electronic-structure calculation on the spin distribution and the conductive properties of (n-C3H7)(4)N[(FeFeIII)-Fe-II(dto)(3)] (dto = C2O2S2)
期刊论文
PHYSICS LETTERS A, 2007, 卷号: 363, 期号: 5-6, 页码: 482-486
作者:
Zhu, L.
;
Yao, K. L.
;
Liu, Z. L.
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2021/02/02
FP-LAPW
electronic structure
spin delocalization
First-principles electronic-structure calculation on the spin distribution and the conductive properties of (n-C3H7)(4)N (FeFeIII)-Fe-II(dto)(3) (dto = C2O2S2)
期刊论文
Physics Letters A, 2007, 卷号: 363, 期号: 5-6, 页码: 482-486
L. Zhu
;
K. L. Yao
;
Z. L. Liu
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2012/04/13
FP-LAPW
electronic structure
spin delocalization
transfer phase-transition
manganese(ii) complex
1d
The ferromagnetic copper (II)-azido compound [Cu(L)(2)(N-3)(2)](n) [L=4-(dimethylamino)pyridine] studied by first-principle calculation
期刊论文
PHYSICA B-CONDENSED MATTER, 2005, 卷号: 358, 期号: 1-4, 页码: 216-223
作者:
Zhang, YS
;
Yao, KL
;
Liu, ZL
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2021/02/02
[Cu(L)(2)(N-3)(2)](n)
azido group
spin delocalization
The ferromagnetic copper (II)-azido compound Cu(L)(2)(N-3)(2) (n) L=4-(dimethylamino)pyridine studied by first-principle calculation
期刊论文
Physica B-Condensed Matter, 2005, 卷号: 358, 期号: 1-4, 页码: 216-223
Y. S. Zhang
;
K. L. Yao
;
Z. L. Liu
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2012/04/14
[Cu(L)(2)(N-3)(2)](n)
azido group
spin delocalization
end-to-end
magnetostructural correlations
magnetic-properties
molecular magnets
crystal-structure
on azido
antiferromagnetic
interactions
nickel(ii) complexes
dinuclear complex
bridges
©版权所有 ©2017 CSpace - Powered by
CSpace