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Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation 期刊论文
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2022, 卷号: 655, 页码: 10
作者:  Luo,Yongcheng;  Xiao,Hanmin;  Liu,Xiangui;  Zheng TY(郑太毅)
Adobe PDF(11320Kb)  |  收藏  |  浏览/下载：161/45  |  提交时间：2022/11/21
Adsorption  Potential energy  Self -diffusion coefficient  Molecular dynamics  
Mechanisms of the improved stiffness of flexible polymers under impact loading 期刊论文
NANOTECHNOLOGY REVIEWS, 2022, 卷号: 11, 期号: 1, 页码: 3281-3291
作者:  Chen,Fengxiao;  Fan,Jitang;  Hui,David;  Wang C(王超);  Yuan FP(袁福平);  Wu XL(武晓雷)
Adobe PDF(3400Kb)  |  收藏  |  浏览/下载：142/28  |  提交时间：2023/02/03
soft segment  flexible polymer  stiffness  strain rate  molecular dynamics  
Distinct binding kinetics of E-, P- and L-selectins to CD44 期刊论文
FEBS JOURNAL, 2022, 页码: 18
作者:  Li LD(李林达);  Ding QH(丁奇寒);  Zhou J(周瑾);  Wu Y(武亿);  Zhang MK(张明坤);  Guo XM;  Long M(龙勉);  Lv SQ(吕守芹)
Adobe PDF(5539Kb)  |  收藏  |  浏览/下载：261/74  |  提交时间：2022/01/12
binding epitope  binding kinetics  CD44  selectin  
Surface reconstruction establishing Mott-Schottky heterojunction and built-in space-charging effect accelerating oxygen evolution reaction 期刊论文
NANO RESEARCH, 2022, 卷号: 15, 期号: 4, 页码: 2952-2960
作者:  Kang Y;  Wang S;  Hui KS;  Wu SX;  Dinh DA;  Fan X;  Bin F(宾峰);  Chen FM;  Geng JX;  Cheong WCM;  Hui KN
Adobe PDF(4544Kb)  |  收藏  |  浏览/下载：255/37  |  提交时间：2022/01/12
F anions  dynamic migration  nickel hydroxides  surface reconstruction  oxygen evolution reaction (OER)  
Defining kerogen maturity from orbital hybridization by machine learning 期刊论文
FUEL, 2022, 卷号: 310, 页码: 10
作者:  Ma J(马俊);  Kang DL(康东亮);  Wang XH(王晓荷);  Zhao YP(赵亚溥)
Adobe PDF(4071Kb)  |  收藏  |  浏览/下载：280/59  |  提交时间：2021/11/29
Kerogen maturity  Orbital hybridization  Machine learning  Quantum chemistry  
Molecular Dynamics Simulation of the Soret Effect on Two Binary Liquid Solutions with Equimolar n-Alkane Mixtures 期刊论文
ACS OMEGA, 2022, 期号: 7, 页码: 518-527
作者:  Zhong J(钟军);  Zhao RB(赵仁保);  欧阳文泽;  Xu SH(徐升华)
Adobe PDF(2173Kb)  |  收藏  |  浏览/下载：183/27  |  提交时间：2022/02/17
Intrinsic sodium occurrence in Zhundong coal: Experimental observations and molecular modeling 期刊论文
FUEL, 2021, 卷号: 305, 页码: 12
作者:  Sun C(孙岑);  Wei XL(魏小林);  Kang RN(康润宁);  Bin F(宾峰);  Li S(李森)
Adobe PDF(9737Kb)  |  收藏  |  浏览/下载：296/52  |  提交时间：2021/11/01
Alkali metal occurrence model  Zhundong coal  Molecular model  DFT  NMR  
Mixed mode equilibrium analysis of asymptotic fields around stationary sharp V-notches in polymer gels: A linear poroelastic study 期刊论文
THEORETICAL AND APPLIED FRACTURE MECHANICS, 2021, 卷号: 116, 页码: 10
作者:  Li, Yunlong;  Niu, Zheng;  Chen XJ(陈贤佳)
Adobe PDF(1694Kb)  |  收藏  |  浏览/下载：185/47  |  提交时间：2022/01/13
Mixed mode loadings  Asymptotic solution  Sharp V-notches  Thermodynamic equilibrium  Poroelasticity  Polymer gels  
Mortar dynamic coupled model for calculating interface gas exchange between organic and inorganic matters of shale 期刊论文
ENERGY, 2021, 卷号: 236, 页码: 16
作者:  Cao GH(曹高辉);  Jiang WB(江文滨);  Lin M(林缅);  Ji LL(姬莉莉);  Xu ZP(徐志朋);  Zheng SP(郑思平);  Hao, Fang
Adobe PDF(3192Kb)  |  收藏  |  浏览/下载：268/52  |  提交时间：2021/11/01
Shale gas  Dynamic transport  Interface exchange  Mortar  
Vibrational Energy Transfer in CO+N-2 Collisions: A Database for V-V and V-T/R Quantum-Classical Rate Coefficients 期刊论文
MOLECULES, 2021, 卷号: 26, 期号: 23, 页码: 27
作者:  Hong QZ(洪启臻);  Bartolomei, Massimiliano;  Coletti, Cecilia;  Lombardi, Andrea;  Sun QH(孙泉华);  Pirani, Fernando
Adobe PDF(735Kb)  |  收藏  |  浏览/下载：239/16  |  提交时间：2022/03/05
vibrational energy transfer  inelastic scattering  potential energy surface  rate coefficients database  quantum-classical nuclear dynamics  quasi-classical trajectories