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Modeling Dynamic Conformations of Organic Molecules: Alkyne Carotenoids in Solution 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 14, 页码: 2792-2801
作者:  Streckaite, Simona;  Macernis, Mindaugas;  Li, Fei;  Trskova, Eliska Kuthanova;  Litvin, Radek
收藏  |  浏览/下载:19/0  |  提交时间:2022/03/01
Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2018, 卷号: 43, 期号: 46, 页码: 21441-21450
作者:  Liu, ZY;  Xiong, LY;  Li, J;  Liu, S;  Er, S
收藏  |  浏览/下载:222/0  |  提交时间:2018/12/25
Phosphorus-doped onion-like carbon for CO2 electrochemical reduction: the decisive role of the bonding configuration of phosphorus 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 41, 页码: -
作者:  Liu, TF;  Ali, S;  Lian, Z;  Si, CW;  Su, DS
收藏  |  浏览/下载:27/0  |  提交时间:2018/12/25
Atomically Dispersed Fe-N-x/C Electrocatalyst Boosts Oxygen Catalysis via a New Metal-Organic Polymer Supramolecule Strategy 期刊论文
ADVANCED ENERGY MATERIALS, 2018, 卷号: 8, 期号: 24, 页码: -
作者:  Miao, ZP;  Wang, XM;  Tsai, MC;  Jin, QQ;  Liang, JS
收藏  |  浏览/下载:36/0  |  提交时间:2018/12/25
The surface energy and stress of metals 期刊论文
SURFACE SCIENCE, 2018, 卷号: 674, 页码: 51-68
作者:  Lee, JY;  Punkkinen, MPJ;  Schonecker, S;  Nabi, Z;  Kadas, K
收藏  |  浏览/下载:20/0  |  提交时间:2018/12/25
Comprehensive first-principles study of transition-metal substitution in the gamma phase of nickel-based superalloys 期刊论文
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2018, 卷号: 61, 页码: 41-49
作者:  Chen, WL;  Xing, WW;  Ma, H;  Ding, XY;  Chen, XQ
收藏  |  浏览/下载:36/0  |  提交时间:2018/12/25
A Co-N-4 moiety embedded into graphene as an efficient single-atom-catalyst for NO electrochemical reduction: a computational study 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 17, 页码: 7547-7556
作者:  Wang, ZX;  Zhao, JX;  Wang, JY;  Cabrera, CR;  Chen, ZF
收藏  |  浏览/下载:23/0  |  提交时间:2018/06/05
Revealing the Janus Character of the Coke Precursor in the Propane Direct Dehydrogenation on Pt Catalysts from a kMC Simulation 期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 5, 页码: 4694-4704
作者:  Lian, Z;  Ali, S;  Liu, TF;  Si, CW;  Li, B
收藏  |  浏览/下载:18/0  |  提交时间:2018/12/25
Spontaneous antiferromagnetic order and strain effect on electronic properties of alpha-graphyne 期刊论文
CARBON, 2018, 卷号: 131, 页码: 223-228
作者:  Dong, BJ;  Guo, HH;  Liu, ZY;  Yang, T;  Tao, P
收藏  |  浏览/下载:31/0  |  提交时间:2018/06/05
Two-Dimensional MoS2 Confined Co(OH)(2) Electrocatalysts for Hydrogen Evolution in Alkaline Electrolytes 期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 5, 页码: 4565-4573
作者:  Luo, YT;  Li, X;  Cai, XK;  Zou, XL;  Kang, FY
收藏  |  浏览/下载:26/0  |  提交时间:2018/12/25


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