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Modification of glycerol force Field for simulating silver nucleation under a diffusion limited condition 期刊论文
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2020, 卷号: 592, 页码: 8
Authors:  Dou, Xiangyu;  Chen, Yongxiu;  Han, Yongsheng
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Nucleation  Silver  Simulation  Glycerol  Force field  
Insight into the formation and permeability of ionic liquid unilamellar vesicles by molecular dynamics simulation 期刊论文
SOFT MATTER, 2020, 卷号: 16, 期号: 10, 页码: 2605-2610
Authors:  Jiang, Kun;  Liu, Xiaomin;  He, Hongyan;  Wang, Jianji;  Zhang, Suojiang
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Decomposition mechanism scenarios of CL-20 co-crystals revealed by ReaxFF molecular dynamics: similarities and differences 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 5, 页码: 2827-2840
Authors:  Ren, Chunxing;  Liu, Han;  Li, Xiaoxia;  Guo, Li
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The Effect of Concentration of Lithium Salt on the Structural and Transport Properties of Ionic Liquid-Based Electrolytes 期刊论文
FRONTIERS IN CHEMISTRY, 2020, 卷号: 7, 页码: 10
Authors:  Tong, Jiahuan;  Wu, Shengli;  von Solms, Nicolas;  Liang, Xiaodong;  Huo, Feng;  Zhou, Qing;  He, Hongyan;  Zhang, Suojiang
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ionic liquids  electrolytes  battery  structure and property  MD simulations  
A space-confined strategy toward large-area two-dimensional crystals of ionic liquid 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 卷号: 22, 期号: 4, 页码: 1820-1825
Authors:  Lu, Yumiao;  Chen, Wei;  Wang, Yanlei;  Huo, Feng;  Zhang, Lan;  He, Hongyan;  Zhang, Suojiang
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Small molecule-mediated self-assembly behaviors of Pluronic block copolymers in aqueous solution: impact of hydrogen bonding on the morphological transition of Pluronic micelles 期刊论文
SOFT MATTER, 2020, 卷号: 16, 期号: 1, 页码: 142-151
Authors:  Luo, Haiyan;  Jiang, Kun;  Liang, Xiangfeng;  Liu, Huizhou;  Li, Yingbo
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Polymerization of aluminate monomer in its initial nucleation stage of organic alkali solution revealed by ReaxFF molecular dynamics simulation 期刊论文
CHEMICAL PHYSICS LETTERS, 2020, 卷号: 739, 页码: 9
Authors:  Guo, Jianwei;  Liu, Shuangyi;  Wang, Zhi;  Cao, Jianwei;  Wang, Dong
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Polymerization  Aluminate  Organic alkali  Initial nucleation stage  ReaxFF simulation  
The molecular mechanism of robust macrophage immune responses induced by PEGylated molybdenum disulfide 期刊论文
NANOSCALE, 2019, 卷号: 11, 期号: 46, 页码: 22293-22304
Authors:  Gu, Zonglin;  Chen, Serena H.;  Ding, Zhaowen;  Song, Wei;  Wei, Wei;  Liu, Shengtang;  Ma, Guanghui;  Zhou, Ruhong
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Record Atomistic Simulation of Crystalline Silicon: Bridging Microscale Structures and Macroscale Properties 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 页码: 8
Authors:  Hou, Chaofeng;  Zhang, Chenglong;  Ge, Wei;  Wang, Lei;  Han, Lin;  Pang, Jianmin
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petascale  molecular dynamics  crystalline silicon  fastest simulation  high performance  SW26010  
Reaction Mechanisms in Pyrolysis of Hardwood, Softwood, and Kraft Lignin Revealed by ReaxFF MD Simulations 期刊论文
ENERGY & FUELS, 2019, 卷号: 33, 期号: 11, 页码: 11210-11225
Authors:  Zhang, Tingting;  Li, Xiaoxia;  Gao, Li;  Guo, Xin
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