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Unexpected Chemistry from the Homogeneous Thermal Decomposition of Acetylene: An ab initio Study 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 31, 期号: 6, 页码: 761-766
作者:  Ding, Jun-xia;  Wang, En-dong;  Li, Guang-yue;  He, Guo-zhong
收藏  |  浏览/下载：21/0  |  提交时间：2019/06/20
Unexpected chemistry from the homogeneous thermal decomposition of acetylene: an ab initio study 期刊论文
Chinese journal of chemical physics, 2018, 卷号: 31, 期号: 6, 页码: 761-766
作者:  Wang, En-dong;  Li, Guang-yue;  Ding, Jun-xia;  He, Guo-zhong
收藏  |  浏览/下载：47/0  |  提交时间：2019/05/08
Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 501, 页码: 94-103
作者:  Wang, XX;  Niu, LL;  Wang, SQ;  Wang, XX (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载：26/0  |  提交时间：2018/06/05
First-principles study of the atomic and electronic properties of (100) stacking faults in BaSnO3 crystal 期刊论文
CHEMICAL PHYSICS LETTERS, 2018, 卷号: 694, 页码: 65-69
作者:  Xue, YB;  Wang, WY;  Guo, Y;  Guo, Y (reprint author), Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China.
收藏  |  浏览/下载：43/0  |  提交时间：2018/06/05
Intrinsically High Thermoelectric Performance in AgInSe2 n-Type Diamond-Like Compounds 期刊论文
ADVANCED SCIENCE, 2018, 卷号: 5, 期号: 3
作者:  Qiu, Pengfei;  Qin, Yuting;  Zhang, Qihao;  Li, Ruoxi;  Yang, Jiong
收藏  |  浏览/下载：37/0  |  提交时间：2018/12/28
Rationalization of single-molecule magnet behavior in a three-coordinate Fe(iii) complex with a high-spin state (: S = 5/2) 期刊论文
Inorganic Chemistry Frontiers, 2018, 卷号: 5, 页码: 2486-2492
作者:  Ge, Ning;  Zhai, Yuan-Qi;  Deng, Yi-Fei;  Ding, You-Song;  Wu, Tao
收藏  |  浏览/下载：12/0  |  提交时间：2019/11/26
An experimental and chemical kinetic modeling study of 1,3-butadiene combustion: Ignition delay time and laminar flame speed measurements 期刊论文
Combustion and Flame, 2018, 卷号: 197, 页码: 423-438
作者:  Zhou, Chong-Wen;  Li, Yang;  Burke, Ultan;  Banyon, Colin;  Somers, Kieran P.
收藏  |  浏览/下载：10/0  |  提交时间：2019/11/26
Prediction of site occupancy of C15 Laves phase at finite temperature based on quasi-harmonic approximation model 期刊论文
INTERMETALLICS, 2018, 卷号: 96, 页码: 33-40
作者:  Wei, Zhenyi;  Yang, Yixu;  Huang, Jinchang;  Wu, Bo;  Sa, Baisheng
收藏  |  浏览/下载：11/0  |  提交时间：2019/11/21
Performance analysis of open-source distributed file systems for practical large-scale molecular ab initio, density functional theory, and GW + BSE calculations 期刊论文
International Journal of Quantum Chemistry, 2018, 卷号: Vol.118 No.1
作者:  Roch, L.M.a,b;  Aleksiev, T.c;  Murri, R.c;  Baldridge, K.K.a,b
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/21

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