×
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
北京大学 [15]
四川大学 [4]
厦门大学 [3]
西安交通大学 [2]
数学与系统科学研究院 [2]
山东大学 [2]
更多...
内容类型
期刊论文 [30]
其他 [5]
学位论文 [2]
发表日期
2020 [1]
2018 [2]
2017 [1]
2016 [3]
2015 [2]
2014 [2]
更多...
学科主题
Chemistry [1]
Physics [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37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
Comparative study on the adsorption behaviors of O and Cl on Fe(110) surfaces with different Cr content
期刊论文
MATERIALS TODAY COMMUNICATIONS, 2020, 卷号: 24, 页码: 8
作者:
Yin, Xiaoran
;
Wang, Haitao
;
Sun, Sheng
;
Han, En-Hou
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/02/02
Oxygen adsorption
Cl-induced corrosion
Cr doping
Implicit solvation model
Joint density functional theory
A Finite Element Solution of Lateral Periodic Poisson-Boltzmann Model for Membrane Channel Proteins
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 3, 页码: 17
作者:
Ji, Nan
;
Liu, Tiantian
;
Xu, Jingjie
;
Shen, Longzhu Q.
;
Lu, Benzhuo
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2018/07/30
laterally periodic Poisson-Boltzmann model
finite element method
membrane channel proteins
pore region
solvation
Computational prediction of cellulose solubilities in ionic liquids based on COSMO-RS
期刊论文
FLUID PHASE EQUILIBRIA, 2018, 卷号: 475, 页码: 25
作者:
Chu, YH
;
Zhang, XP
;
Hillestad, M
;
He, XZ
;
Chu, Yunhan
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2018/12/29
Ionic Liquids
Experimental-verification
Cellulose Solubility
Activity-coefficients
Cosmo-rs
Molecular-dynamics
Activity Coefficient
Screening Model
Excess Enthalpy
Force-field
Dissolution
Solvation
Chloride
Chemistry
Simulations
Odd Even Effect of Thiophene Chain Lengths on Excited State Properties in Oligo(thienyl ethynylene)-Cored Chromophores
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017
Wang, Xian
;
He, Guiying
;
Li, Yang
;
Kuang, Zhuoran
;
Guo, Qianjin
;
Wang, Jin-Liang
;
Pei, Jian
;
Xia, Andong
收藏
  |  
浏览/下载:101/0
  |  
提交时间:2017/12/03
INTRAMOLECULAR CHARGE-TRANSFER
POLARIZABLE CONTINUUM MODEL
PHOTOPHYSICAL PROPERTIES
SOLVATION DYNAMICS
FEMTOSECOND SPECTROSCOPY
CONJUGATED POLYMERS
MOLECULAR-OXYGEN
SINGLET-STATE
SOLAR-CELLS
FLUORESCENCE
Gating mechanism of mechanosensitive channel of large conductance: a coupled continuum mechanical-continuum solvation approach
期刊论文
BIOMECHANICS AND MODELING IN MECHANOBIOLOGY, 2016, 卷号: 15, 期号: [db:dc_citation_issue], 页码: 1557-1576
作者:
Zhu, Liangliang
;
Wu, Jiazhong
;
Liu, Ling
;
Liu, Yilun
;
Yan, Yuan
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/02
Multi-scale simulations
Continuum solvation model
Continuum mechanics
Mechanosensitive channel
Gating mechanism
Gating mechanism of mechanosensitive channel of large conductance: a coupled continuum mechanical-continuum solvation approach.
期刊论文
Biomechanics and modeling in mechanobiology, 2016, 卷号: 15, 页码: 1557-1576
作者:
Zhu Liangliang
;
Wu Jiazhong
;
Liu Ling
;
Liu Yilun
;
Yan Yuan
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/11/26
Mechanosensitive channel
Multi-scale simulations
Continuum solvation model
Continuum mechanics
Gating mechanism
Comparison of prediction methods for octanol-air partition coefficients of diverse organic compounds
期刊论文
CHEMOSPHERE, 2016, 卷号: 148, 页码: 118-125
作者:
Fu, Zhiqiang
;
Chen, Jingwen
;
Li, Xuehua
;
Wang, Ya'nan
;
Yu, Haiying
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/09
Octanol-air partition coefficients
Quantitative structure activity relationship
Group contribution model
Solvation model
Application domain
Prediction method
A new lattice Monte Carlo simulation for dielectric saturation in ion-containing liquids
期刊论文
soft matter, 2015, 卷号: 11, 期号: 18, 页码: 3566-3571
作者:
Duan,Xiaozheng
;
Nakamura,Issei
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2016/05/12
EFFECTIVE INTERACTION POTENTIALS
EARTH METAL-IONS
ELECTROLYTE SOLUTIONS
COPOLYMER MELTS
SPC/E WATER
SOLAR-CELLS
ALKALI
MODEL
SOLVATION
Negative solvatochromism of push-pull biphenyl compounds: a theoretical study
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2015, 卷号: 134, 期号: 12
作者:
Meng, Suci[1]
;
Caprasecca, Stefano[2]
;
Guido, Ciro Achille[3]
;
Jurinovich, Sandro[4]
;
Mennucci, Benedetta[5]
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/12/24
Hypsochromic shift
Zwitterionic compounds
Solvation model
TD-DFT
Molecular dynamics
QM/MM
Accuracy and efficiency in computing electrostatic potential for an ion channel model in layered dielectric/electrolyte media
其他
2014-01-01
Lin, Huimin
;
Tang, Huazhong
;
Cai, Wei
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2015/11/10
Poisson-Boltzmann equation
Layered electrolytes and dielectrics
Image charge method
Ion channels
The explicit/implicit hybrid solvation model
BOUNDARY INTEGRAL-EQUATIONS
POISSON-BOLTZMANN EQUATION
REACTION FIELD
SIMULATIONS
DOMAINS
©版权所有 ©2017 CSpace - Powered by
CSpace