×
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
大连化学物理研究所 [9]
化学研究所 [3]
力学研究所 [2]
过程工程研究所 [1]
武汉物理与数学研究所 [1]
中国科学院大学 [1]
更多...
内容类型
期刊论文 [20]
发表日期
2019 [1]
2018 [2]
2017 [1]
2015 [1]
2014 [1]
2013 [1]
更多...
×
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20条,第1-10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
Structure and dynamics properties of liquid ethylene glycol from molecular dynamics simulations
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 718, 页码: 12-21
作者:
Zhang, Nan
;
Li, Ming-Ru
;
Zhang, Feng-Shou
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2019/04/02
Ethylene glycol
Structure
Dynamics properties
Study on failure mechanism of Cu-polyethylene-Cu sandwich structure by molecular dynamics simulation
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 154, 页码: 315-324
作者:
Meng CY(孟昶宇)
;
Liao LJ(廖丽涓)
;
Huang CG(黄晨光)
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2018/10/30
Failure Mechanism
Sandwich Structure
Molecular Dynamics
Thickness-dependence
Micro-void Nucleation
Dihedral Distribution
Study on mechanical properties of polyethylene with chain branching in atomic scale by molecular dynamics simulation
期刊论文
MOLECULAR SIMULATION, 2018, 卷号: 44, 期号: 12, 页码: 1016-1024
作者:
Liao LJ(廖丽涓)
;
Meng CY(孟昶宇)
;
Huang CG(黄晨光)
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2018/07/17
Chain Branching
Polyethylene (Pe)
Mechanical Properties
Molecular Dynamics (Md) Simulation
Atomic Scale
Effect of reagent vibrational excitation on reaction of H + CH+ -> C+ + H-2
期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66
作者:
Tang Xiao-Ping
;
He Xiao-Hu
;
Zhou Can-Hua
;
Yang Yang
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2017/10/29
Molecular Reaction Dynamics
Quasi-classical Trajectory Method
Vector Correlation
Predicting the structural preferences of luteolin-7-O-beta-D-glucoside in the gas phase: An application of the hybrid MCMM/QM approach
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2015, 卷号: 1051, 页码: 42-46
作者:
Chen Dong[1]
;
Li Yongzhi[2]
;
Wei Zhichao[3]
;
Liu Bo[4]
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/23
Fully random conformational search
Luteolin-7-O-beta-D-glucoside
Distribution of glycosidic dihedral angles
Glycosidic linkage
Hydrogen bond
Electron Transport Characteristics of the Dimeric 1,4-Benzenedithiol Junction
期刊论文
CHEMISTRY-AN ASIAN JOURNAL, 2014, 卷号: 9, 期号: 8, 页码: 2077-2082
作者:
Wang, Lin
;
Li, Shu-Ying
;
Yuan, Jing-He
;
Gu, Jing-Ying
;
Wang, Dong
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/04/09
Disulfide Bond
Electron Transport
Scanning Tunneling Microscopy
Single-molecule Studies
STEREODYNAMICS, MASS EFFECT AND DOCKING FROM O(P-3) + HD -> OH plus D AT E-col=0.4-1.0 eV AND O(P-3)+HD -> OD plus H AT E-col=0.5-1.0 eV
期刊论文
journal of theoretical & computational chemistry, 2013, 卷号: 12, 期号: 1
作者:
Chao (Wu), Victor Wei-Keh
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2015/11/09
Quasiclassical trajectory (QCT) calculation
stereodynamics
alignment
rotational angular momentum
polarization-dependent differential cross section (PDDCS)
O plus HD reaction
mass effect
docking
drug modification
drug delivery
VECTOR CORRELATIONS AND PRODUCT POLARIZATIONS IN THE N(D-2) + D-2 -> ND -> D REACTIVE SYSTEM
期刊论文
journal of theoretical & computational chemistry, 2012, 卷号: 11, 期号: 5, 页码: 1005-1018
作者:
Nie, Shanshan
;
Chu, Tianshu
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2015/11/09
QCT calculation
PES
isotope effect
stereo-dynamics
Ethylene/Propylene Copolymerization Over Three Conventional C-2-Symmetric Metallocene Catalysts: Correlation Between Catalyst Configuration and Copolymer Microstructure
期刊论文
JOURNAL OF APPLIED POLYMER SCIENCE, 2010, 卷号: 118, 期号: 6, 页码: 3218-3226
作者:
Lu, Li
;
Niu, Hui
;
Dong, Jin-Yong
;
Zhao, Xutao
;
Hu, Xuteng
收藏
  |  
浏览/下载:41/0
  |  
提交时间:2019/04/09
Ethylene/propylene Copolymerization
Copolymer Microstructure
Metallocene Catalyst
Catalyst Configuration
Association
Ethylene/propylene copolymerization over three conventional c-2-symmetric metallocene catalysts: correlation between catalyst configuration and copolymer microstructure
期刊论文
Journal of applied polymer science, 2010, 卷号: 118, 期号: 6, 页码: 3218-3226
作者:
Lu, Li
;
Niu, Hui
;
Dong, Jin-Yong
;
Zhao, Xutao
;
Hu, Xuteng
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2019/05/10
Ethylene/propylene copolymerization
Copolymer microstructure
Metallocene catalyst
Catalyst configuration
Association
©版权所有 ©2017 CSpace - Powered by
CSpace