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Ionic Liquid Filled Single-Walled Carbon Nanotubes for Flow- Induced Energy Harvesting 期刊论文
Journal of Physical Chemistry C, 2019, 期号: 123, 页码: 6981-6988
Authors:  Guan YJ(关永吉);  Chen WQ(陈文琼);  Du C(杜超);  Zhang XP(张晓萍);  Deng YQ(邓友全)
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Exponential Dependence of Photocatalytic Activity on Linker Chain Length of Au-Linker-Cu2O Plasmonic Photocatalysts with Subnanometer Precision 期刊论文
Catalysis Letters, 2018, 卷号: 48, 期号: 1, 页码: 3363
Authors:  Jianbin Xue;  Denghui Jiang;  Hao Xie;  Weihai Ni;  Xinheng Li
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Influence of External Electric Field on Vibrational Spectrum of Imidazolium-Based Ionic Liquids Probed by Molecular Dynamics Simulation 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 8, 期号: 34, 页码: 912-919
Authors:  Chen WQ(陈文琼);  Guan YJ(关永吉);  Zhang XP(张晓萍);  Deng YQ(邓友全)
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Vibrational Spectrum  External Electric Field  Ionic Liquid  Molecular Dynamics Simulation  
Flow-induced voltage generation by driving imidazolium-based ionic liquids over a graphene nano-channel 期刊论文
Journal of Materials Chemistry A, 2018, 期号: 6, 页码: 11941-11950
Authors:  Guan YJ(关永吉);  Shao QF(邵群峰);  Chen WQ(陈文琼);  Zhang J(张娇);  Zhang XP(张晓萍);  Deng YQ(邓友全)
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Nanoconfined Ionic Liquids 期刊论文
Chemical Reviews, 2017, 卷号: 117, 期号: 10, 页码: 6755-6833
Authors:  Zhang SG(张世国);  Zhang, Jiaheng;  Zhang, Yan;  Deng YQ(邓友全);  Zhang SG(张世国);  Deng YQ(邓友全)
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Dynamic Three-Dimensional Nanowetting Behavior of Imidazolium- Based Ionic Liquids Probed by Molecular Dynamics Simulation 期刊论文
Journal of Physical Chemistry C, 2017, 卷号: 121, 期号: 42, 页码: 23716-23726
Authors:  Guan YJ(关永吉);  Shao QF(邵群峰);  Chen WQ(陈文琼);  Liu SM(刘士民);  Zhang XP(张晓萍);  Deng YQ(邓友全)
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Dynamic Three-Dimensional Nanowetting Behavior of Imidazolium-Based Ionic Liquids Probed by Molecular Dynamics Simulation 期刊论文
Journal of Physical Chemistry C, 2017, 卷号: 121, 期号: 42, 页码: 23716-23726
Authors:  Guan, Yongji;  Shao, Qunfeng;  Chen, Wenqiong;  Liu SM(刘士民);  Zhang XP(张晓萍);  Deng YQ(邓友全);  Zhang XP(张晓萍);  Deng YQ(邓友全)
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Estrogen Formation via H-Abstraction from the O-H Bond of gem-Diol by Compound I in the Reaction of CYP19A1: Mechanistic Scenario Derived from Multiscale QM/MM Calculations 期刊论文
ACS Catalysis, 2015, 卷号: 5, 期号: 7, 页码: 4175-4179
Authors:  Xu, Kai;  Wang, Yong;  Hirao, Hajime
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Aromatase  Cpd i  Qm/mm  H-abstraction  Pcet  
Molecular Dynamics Simulation of Self-Aggregation of Asphaltenes at an Oil/Water Interface: Formation and Destruction of the Asphaltene Protective Film 期刊论文
Energy and Fuels, 2015, 卷号: 29, 期号: 2, 页码: 1233-1242
Authors:  Liu J(刘娟);  Zhao, Yapu;  Ren SL(任嗣利);  Ren SL(任嗣利)
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离子液体的量化计算及分子动力学模拟研究进展 期刊论文
分子催化, 2012, 卷号: 26, 期号: 5, 页码: 456-468
Authors:  吴丽;  李臻;  王芳;  陈静;  夏春谷
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离子液体  量子化学计算  分子动力学模拟