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Microhydration of BH4-: Dihydrogen Bonds, Structure, Stability, and Raman Spectra 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 47, 页码: 9146-9155
作者:  Zhou, Yongquan;  Yoshida, Koji;  Yamaguchi, Toshio;  Liu, Hongyan;  Fang, Chunhui
收藏  |  浏览/下载：18/0  |  提交时间：2018/06/20
Computational and experimental analysis of organic degradation positively regulated by bioelectrochemistry in an anaerobic bioreactor system 期刊论文
WATER RESEARCH, 2017, 卷号: 125, 期号: 0, 页码: 170-179
作者:  Liu, Wenzong;  Guo, Zechong;  Wang, Aijie;  Cai, Weiwei;  He, Zhangwei
收藏  |  浏览/下载：28/0  |  提交时间：2018/07/29
Dual-Functional Ice/Water Interface Allows High-Yield Formation of Al-13 with Low Energy 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2017, 卷号: 5, 期号: 10, 页码: 8513-8517
作者:  Kuang, Liang;  Li, Ning;  Jefferson, William A.;  Bai, Yaohui;  Ji, Qinghua
收藏  |  浏览/下载：26/0  |  提交时间：2018/07/29
Optimal error estimate of a compact scheme for nonlinear Schrodinger equation 期刊论文
APPLIED NUMERICAL MATHEMATICS, 2017, 卷号: 120, 页码: 68-81
作者:  Hong, Jialin;  Ji, Lihai;  Kong, Linghua;  Wang, Tingchun
收藏  |  浏览/下载：26/0  |  提交时间：2018/07/30
Site preference, structural and magnetic properties of la3co29-xnixsi4b10 predicted by first-principles calculations 期刊论文
Computational materials science, 2017, 卷号: 138, 页码: 412-418
作者:  Ren, Jie;  Wang, Xiaoxu
收藏  |  浏览/下载：23/0  |  提交时间：2019/05/09
New methods for prediction of elastic constants based on density functional theory combined with machine learning 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 138, 页码: 135-148
作者:  Wang, Juan;  Yang, Xiaoyu;  Zeng, Zhi;  Zhang, Xiaoli;  Zhao, Xushan
收藏  |  浏览/下载：30/0  |  提交时间：2018/08/16
The adsorption and diffusion behavior of noble metal adatoms (Pd, Pt, Cu, Ag and Au) on a MoS2 monolayer: a first-principles study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 31, 页码: 20713-20722
作者:  Huang, Min;  Li, Peng;  Yin, Naiqiang;  Wu, Ping;  Cheng, Wenjing
收藏  |  浏览/下载：8/0  |  提交时间：2017/12/05
A combined dft and molecular dynamics study of u(vi)/calcite interaction in aqueous solution 期刊论文
Science bulletin, 2017, 卷号: 62, 期号: 15, 页码: 1064-1073
作者:  Lan, Jian-Hui;  Chai, Zhi-Fang;  Shi, Wei-Qun
收藏  |  浏览/下载：18/0  |  提交时间：2019/04/23
First-principles study of water reacting with the (110) surface of uranium mononitride 期刊论文
Journal of nuclear materials, 2017, 卷号: 492, 页码: 244-252
作者:  Bo, Tao;  Lan, Jian-Hui;  Zhao, Yao-Lin;  He, Chao-Hui;  Chai, Zhi-Fang
收藏  |  浏览/下载：22/0  |  提交时间：2019/04/23
Mechanical, electronic and thermodynamic properties of hexagonal and orthorhombic U2Mo: A first-principle calculation 期刊论文
PROGRESS IN NUCLEAR ENERGY, 2017, 卷号: 99, 期号: 无, 页码: 110-118
作者:  Chen, Ke;  Tian, Xiaofeng;  Yu, You;  You, Zhenjiang;  Ge, Liangquan
收藏  |  浏览/下载：20/0  |  提交时间：2018/06/04

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