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CORC

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Modulating the electronic properties of perovskite via sigma-pi interfacial interactions: Acomputational study 期刊论文
APL MATERIALS, 2018, 卷号: 6
作者:  Li, Fengyu;  Yi, Fuzhao;  Gao, Junfeng;  Zhang, Haijun;  Chen, Zhongfang
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/02
Exploring adsorption of neutral aromatic pollutants onto graphene nanomaterials via molecular dynamics simulations and theoretical linear solvation energy relationships 期刊论文
ENVIRONMENTAL SCIENCE-NANO, 2018, 卷号: 5, 页码: 2117-2128
作者:  Wang, Ya;  Comer, Jeffrey;  Chen, Zhongfang;  Chen, Jingwen;  Gumbart, James C.
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/02
Unveiling Adsorption Mechanisms of Organic Pollutants onto Carbon Nanomaterials by Density Functional Theory Computations and Linear Free Energy Relationship Modeling 期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2017, 卷号: 51, 页码: 11820-11828
作者:  Wang, Ya;  Chen, Jingwen;  Wei, Xiaoxuan;  Maldonado, Arturo J. Hernandez;  Chen, Zhongfang
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/03
Dynamic motion of an Lu pair inside a C-76(T-d) cage 期刊论文
RSC ADVANCES, 2015, 卷号: 5, 页码: 34383-34389
作者:  Hao, Juanyuan;  Li, Fengyu;  Li, Hongjiang;  Chen, Xiaoyu;  Zhang, Yuyan
收藏  |  浏览/下载：10/0  |  提交时间：2019/12/09
Magnetic properties of atomic clusters and endohedral metallofullerenes 期刊论文
COORDINATION CHEMISTRY REVIEWS, 2015, 卷号: 289, 页码: 315-340
作者:  Zhao, Jijun;  Huang, Xiaoming;  Jin, Peng;  Chen, Zhongfang
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/09
Design of Three-shell Icosahedral Matryoshka Clusters A@B-12@A(20) (A = Sn, Pb; B = Mg, Zn, Cd, Mn) 期刊论文
SCIENTIFIC REPORTS, 2014, 卷号: 4, 页码: 6915
作者:  Huang, Xiaoming;  Zhao, Jijun;  Su, Yan;  Chen, Zhongfang;  King, R. Bruce
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/09
Appropriate description of intermolecular interactions in the methane hydrates: An assessment of DFT methods 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2013, 卷号: 34, 页码: 121-131
作者:  Liu, Yuan;  Zhao, Jijun;  Li, Fengyu;  Chen, Zhongfang
收藏  |  浏览/下载：1/0  |  提交时间：2019/12/11
B-80 and B101-103 clusters: Remarkable stability of the core-shell structures established by validated density functionals 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 136
作者:  Li, Fengyu;  Jin, Peng;  Jiang, De-en;  Wang, Lu;  Zhang, Shengbai B.
收藏  |  浏览/下载：11/0  |  提交时间：2019/12/13
Amorphous structural models for graphene oxides 期刊论文
CARBON, 2012, 卷号: 50, 页码: 1690-1698
作者:  Liu, Lizhao;  Wang, Lu;  Gao, Junfeng;  Zhao, Jijun;  Gao, Xingfa
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/13
Fe-Anchored Graphene Oxide: A Low-Cost and Easily Accessible Catalyst for Low-Temperature CO Oxidation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 卷号: 116, 页码: 2507-2514
作者:  Li, Fengyu;  Zhao, Jijun;  Chen, Zhongfang
收藏  |  浏览/下载：1/0  |  提交时间：2019/12/13

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