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Finding non-classical critical nuclei and minimum energy path of Cu precipitates in Fe-Cu alloys 期刊论文
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2017
Li, Boyan; Zhang, Lei; Li, Chengliang; Li, Qiulin; Chen, Jun; Shu, Guogang; Weng, Yuqing; Xu, Ben; Liu, Wei
收藏  |  浏览/下载：64/0  |  提交时间：2017/12/03
Sediments inhibit adsorption of 17 beta-estradiol and 17 alpha-ethinylestradiol to carbon nanotubes and graphene oxide 期刊论文
ENVIRONMENTAL SCIENCE-NANO, 2017
Sun, Weiling; Li, Menglin; Zhang, Wei; Wei, Jingmiao; Chen, Ben; Wang, Conghe
收藏  |  浏览/下载：3/0  |  提交时间：2017/12/03
Valley-Polarized Quantum Anomalous Hall Effect in Ferrimagnetic Honeycomb Lattices 期刊论文
PHYSICAL REVIEW LETTERS, 2017
Zhou, Jian; Sun, Qiang; Jena, Puru
收藏  |  浏览/下载：2/0  |  提交时间：2017/12/03
Exact two-component relativistic energy band theory and application 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016
Zhao, Rundong; Zhang, Yong; Xiao, Yunlong; Liu, Wenjian
收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03
Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016
Yang, Y. Isaac; Zhang, Jun; Che, Xing; Yang, Lijiang; Gao, Yi Qin
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Molecular dynamics in a grand ensemble: Bergmann-Lebowitz model and adaptive resolution simulation 其他
2015-01-01
Agarwal, Animesh; Zhu, Jinglong; Hartmann, Carsten; Wang, Han; Delle Site, Luigi
收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03
Gibbs自由能最小化法计算二氧化碳-烃-水系统相平衡 期刊论文
石油学报, 2015
邸元; 张园; Wu Yu-Shu
收藏  |  浏览/下载：2/0  |  提交时间：2017/12/03
Localization of Molecular Orbitals: From Fragments to Molecule 期刊论文
accounts of chemical research, 2014
Li, Zhendong; Li, Hongyang; Suo, Bingbing; Liu, Wenjian
收藏  |  浏览/下载：3/0  |  提交时间：2015/11/16
Molecular docking and molecular dynamics studies on the structure-activity relationship of fluoroquinolone for the HERG channel 期刊论文
分子生物系统, 2014
Luo, Fang; Gu, Jiangyong; Chen, Lirong; Xu, Xiaojie
收藏  |  浏览/下载：3/0  |  提交时间：2015/11/10
Combine umbrella sampling with integrated tempering method for efficient and accurate calculation of free energy changes of complex energy surface 期刊论文
journal of chemical physics, 2014
Yang, Mingjun; Yang, Lijiang; Gao, Yiqin; Hu, Hao
收藏  |  浏览/下载：5/0  |  提交时间：2015/11/11

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