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CORC

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Interaction and Mechanism between Imidazolium Ionic Liquids and the Zwitterionic Amino Acid Tyr: a DFT Study 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 10
作者:  Wu, Zhiwei;  Ding, Weilu;  Zhang, Yaqin;  Wang, Yanlei;  He, Hongyan
收藏  |  浏览/下载：27/0  |  提交时间：2021/08/31
Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics 期刊论文
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 156, 页码: 9
作者:  Gao, Mingjie;  Li, Xiaoxia;  Guo, Xin;  Chen, Lei;  Sun, Laizhi
收藏  |  浏览/下载：24/0  |  提交时间：2021/08/31
On the association of frustrated Lewis pairs in ionic liquids: a molecular dynamics simulation study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 页码: 8
作者:  Liu, Xiaoqing;  Wang, Xiaojing;  Li, Yao;  Yu, Tianhao;  Zhao, Weizhen
收藏  |  浏览/下载：12/0  |  提交时间：2021/08/31
Work function regulation of nitrogen-doped carbon nanotubes triggered by metal nanoparticles for efficient electrocatalytic nitrogen fixation 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2020, 卷号: 8, 期号: 48, 页码: 26066-26074
作者:  Yuan, Menglei;  Bai, Yiling;  Zhang, Jingxian;  Zhao, Tongkun;  Li, Shuwei
收藏  |  浏览/下载：22/0  |  提交时间：2021/03/29
Tunable Mechanical and Optoelectronic Properties of Organic Cocrystals by Unexpected Stacking Transformation from H- to J- and X-Aggregation 期刊论文
ACS NANO, 2020, 卷号: 14, 期号: 8, 页码: 10704-10715
作者:  Ji, Wei;  Xue, Bin;  Bera, Santu;  Guerin, Sarah;  Liu, Yanqing
收藏  |  浏览/下载：13/0  |  提交时间：2020/10/30
Molecular dynamics simulations of polymerisation and crystallisation at constant chemical potential 期刊论文
MOLECULAR SIMULATION, 2020, 卷号: 46, 期号: 11, 页码: 823-828
作者:  Chen, Wei;  Ren, Ying
收藏  |  浏览/下载：21/0  |  提交时间：2020/09/22
Selectively anchored vanadate host for self-boosting catalytic synthesis of ultra-fine vanadium nitride/nitrogen-doped hierarchical carbon hybrids as superior electrode materials 期刊论文
ELECTROCHIMICA ACTA, 2020, 卷号: 332, 页码: 11
作者:  Yang, Hailun;  Ning, Pengge;  Cao, Hongbin;  Yuan, Menglei;  Feng, Jianpeng
收藏  |  浏览/下载：17/0  |  提交时间：2020/03/24
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
作者:  Luo, Haiyan;  Jiang, Kun;  Liang, Xiangfeng;  Liu, Huizhou;  Li, Yingbo
收藏  |  浏览/下载：11/0  |  提交时间：2020/03/24
Probing impacts of pi-conjugation and multiarm on the performance of two-dimensionally expanded small molecule hole-transporting materials: A theoretical investigation 期刊论文
SYNTHETIC METALS, 2020, 卷号: 259, 页码: 10
作者:  Sun, Zhu-Zhu;  Feng, Shuai;  Ding, Wei-Lu
收藏  |  浏览/下载：8/0  |  提交时间：2020/03/24
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
作者:  Zhang, Tingting;  Li, Xiaoxia;  Gao, Li;  Guo, Xin
收藏  |  浏览/下载：4/0  |  提交时间：2020/03/24

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