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期刊论文 [49]
会议论文 [4]
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Molecular dynamics simulation of lateral ultrasonic excitation in atomic-scale friction
期刊论文
Materials Research Express, 2020, 卷号: 7, 期号: 1
作者:
Wang, Zining
;
Duan, Zaoqi
;
Dong, Yun
;
Zhang, Yan
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2020/11/14
Atoms
Computer simulation
Friction
Molecular physics
Nanotribology
Potential energy
Quantum chemistry
Ultrasonic effects
Atomic scale frictions
Interaction potentials
Lateral excitation
Molecular dynamics simulations
Numerical computations
Superlubricity
Ultrasonic excitation
Ultrasonic vibration
Evaluation of phase state and rotational viscosity of fast response liquid crystals using a fully atomistic molecular dynamics
期刊论文
Liquid Crystals, 2018, 卷号: 45, 期号: 1, 页码: 129-135
作者:
Wang, Q. D.
;
Zhang, G. Y.
;
Liu, Y. G.
;
Yao, L. S.
;
Li, D. Y.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/09/17
Molecular dynamics
liquid crystal
phase state
rotational viscosity
response performance
amber force-field
adaptive optics
computer-simulation
performance
anisotropy
mechanics
gromacs
Chemistry
Crystallography
Materials Science
Digitized Archival Primary Sources in STEM: A Selected Webliography
期刊论文
Issues in Science and Technology Librarianship, 2017, 卷号: No.87
作者:
Jankowski,Amy
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/24
Archives
Primary
Sources
Scientific
and
Technical
Information
Biology
Chemistry
Computer
Science
Engineering
Technology
Forestry
Agriculture
Environment
Medicine
Physics
Mathematics
STEM
Education
Research
Electronic
Libraries
Further results on computation of topological indices of certain networks
期刊论文
IET Control Theory and Applications, 2017, 卷号: 11, 期号: 13, 页码: 2065-2071
作者:
Liu, Jia-Bao
;
Wang, Shaohui*
;
Wang, Chunxiang
;
Hayat, Sakander
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/23
network theory (graphs)
graph theory
chemistry
network topological index computation
degree based topological indices
distance based topological indices
counting related topological indices
physicochemical properties
sum-connectivity index
multiplicative Zagreb indices
silicate networks
hexagonal networks
oxide networks
honeycomb networks
computer-based graphs
The Adsorption and Simulated Separation of Light Hydrocarbons in Isoreticular Metal-Organic Frameworks Based on Dendritic Ligands with Different Aliphatic Side Chains
期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2014, 卷号: 20, 期号: 29, 页码: 9073-9080
作者:
Jia, Jiangtao
;
Wang, Lei
;
Sun, Fuxing
;
Jing, Xiaofei
;
Bian, Zheng
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/04/09
Adsorption
Computer Chemistry
Metal-organic Frameworks
Light Hydrocarbons
Separation
计算(机)化学学科进展(2011-2013)
期刊论文
化学通报印刷版, 2014
邵学广
;
朱维良
;
吴海龙
;
李晓霞
;
徐筱杰
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/12
理论化学
计算化学
计算机化学
分子模拟
化学计量学
数据挖掘
软件
Theoretical chemistry
Computational chemistry
Computer chemistry
Molecular simulation
Chemometrics
Data mining
Software
SABRE: Ligand/Structure-Based Virtual Screening Approach Using Consensus Molecular-Shape Pattern Recognition
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 卷号: 54, 页码: 338-346
作者:
Wei, Ning-Ning
;
Hamza, Adel
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/09
Active compounds
Binding pockets
Chemical similarity
Linear combinations
Molecular shapes
Receptor binding site
Structural diversity
Virtual Screening, Algorithms
Binding sites
Data fusion
Ligands
Molecules
Pattern recognition, Three dimensional, ligand
protein, algorithm
automated pattern recognition
binding site
biology
chemical database
chemical structure
chemical structure
chemistry
computer interface
computer program
drug database
drug development
drug screening
human
metabolism
procedures
statistics and numerical data
validation study, Algorithms
Binding Sites
Computational Biology
Databases, Chemical
Databases, Pharmaceutical
Drug Discovery
Drug Evaluation, Preclinical
Humans
Ligands
Models, Molecular
Molecular Structure
Pattern Recognition, Automated
Proteins
Software
User-Computer Interface
Progress of Chemoinformatics (Computational Chemistry) during 2011 ~ 2013
期刊论文
Chemistry, 2014, 卷号: 77, 期号: 7, 页码: 692-698
作者:
Shao Xueguang
;
Zhu Weiliang
;
Wu Hailong
;
Li Xiaoxia
;
Xu Xiaojie
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/01/08
Theoretical chemistry
Computational chemistry
Computer chemistry
Molecular simulation
Chemometrics
Data mining
Software
Solvent-responsive behavior of polymer-brush-modified amphiphilic gold nanoparticles (EI收录)
期刊论文
Macromolecular Theory and Simulations, 2013, 卷号: 22, 页码: 174-186
作者:
Dong, Jiaqi[1]
;
Zhou, Jian[1]
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/04/25
Computer simulation
Gold
Metal nanoparticles
Morphology
Particle size
Polyethylene oxides
Polymers
Polystyrenes
Surface chemistry
Journal of Pharmacy & Pharmacognosy Research: Bienvenida
期刊论文
Journal of pharmacy & pharmacognosy research, 2013, 卷号: Vol.1 No.1, 页码: 1
作者:
Garrido,Gabino
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2020/01/04
Chemistry
Library
and
information
science
Computer
science
Medicinal
chemistry
Information
sources
Computing
Pharmacy
Pharmacognosy
Scientific
papers
Electronic
games
Internet
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