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NaF plus H Reactions">Quantum Dynamics Calculations of Na (3(2)S, 3(2)P) + HF -> NaF plus H Reactions 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 13, 页码: 2601-2609
作者:  Yan, Wei;  Tan, Rui Shan;  Lin, Shi Ying
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/11
Understanding the boosted sodium storage behavior of a nanoporous bismuth-nickel anode using operando X-ray diffraction and density functional theory calculations 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2019, 卷号: 7, 期号: 22, 页码: 13602-13613
作者:  Gao, Hui;  Song, Lin;  Niu, Jiazheng;  Zhang, Chi;  Kou, Tianyi
收藏  |  浏览/下载：14/0  |  提交时间：2019/12/11
Dirac cones in a snub trihexagonal tiling lattice with reflective symmetry breaking 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 卷号: 31, 期号: 15
作者:  Yang, Bo;  Zhang, Xiaoming;  Wang, Aizhu;  Zhao, Mingwen
收藏  |  浏览/下载：10/0  |  提交时间：2019/12/11
First-principles study of dopant stability and related optical properties in CdSiP2 crystal 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 802, 页码: 310-317
作者:  Wang, Ci;  Zhang, Jian;  Hu, Qingmiao;  Tao, Xutang
收藏  |  浏览/下载：5/0  |  提交时间：2019/12/11
First-principles investigations on structural stability, elastic and electronic properties of Co7M6 (M= W, Mo, Nb) mu phases 期刊论文
MOLECULAR SIMULATION, 2019, 卷号: 45, 期号: 9, 页码: 752-758
作者:  Li, Pan;  Zhang, Jianxin;  Ma, Shiyu;  Zhang, Youjian;  Jin, Huixin
收藏  |  浏览/下载：6/0  |  提交时间：2019/12/11
Nonlinear Migration Dynamics of Excess Electrons along Linear Oligopeptides Controlled by an Applied Electric Field 期刊论文
CHEMPHYSCHEM, 2019, 卷号: 20, 期号: 11, 页码: 1497-1507
作者:  Song, Xiufang;  Fu, Qiang;  Bu, Yuxiang
收藏  |  浏览/下载：10/0  |  提交时间：2019/12/11
Acetone sensing mechanism of PdO-modified hexagonal WO3 (001) surface: DFT calculations 期刊论文
Applied Surface Science, 2019, 卷号: 495
作者:  Cao, Yue;  Qin, Hongwei;  Chen, Yanping;  Hu, J.
收藏  |  浏览/下载：11/0  |  提交时间：2019/12/11
Effect of Mo content on microstructure and Wear resistance of Mo-Fe-B claddings 期刊论文
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS, 2019, 卷号: 81, 页码: 233-241
作者:  Jin, Jun;  Sun, Junsheng;  Wang, Guangle
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/11
Mechanical insights into the oxidative cleavage of resveratrol catalyzed by dioxygenase NOV1 from Novosphingobium aromaticivorans: confirmation of dioxygenase mechanism by QM/MM calculations 期刊论文
CATALYSIS SCIENCE & TECHNOLOGY, 2019, 卷号: 9, 期号: 2, 页码: 444-455
作者:  Bai, Jie;  Hou, Qianqian;  Zhu, Wenyou;  Liu, Yongjun
收藏  |  浏览/下载：7/0  |  提交时间：2019/12/11
First-principles calculations of aluminium nitride monolayer with chemical functionalization 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 481, 页码: 1549-1553
作者:  Wang, Sake;  Tian, Hongyu;  Luo, Yi;  Yu, Jin;  Ren, Chongdan
收藏  |  浏览/下载：8/0  |  提交时间：2019/12/11

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