CORC

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CORC

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Recent advances on first-principles modeling for the design of materials in CO2 capture technologies 期刊论文
Chinese Journal of Chemical Engineering, 2019, 卷号: Vol.27 No.7, 页码: 1554-1565
作者:  Yuan, Y.a,b;  You, H.b;  Ricardez-Sandoval, L.b
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/21
A DFT study on CO methanation over the activated basal plane from a strained two-dimensional nano-MoS2 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: Vol.479, 页码: 360-367
作者:  Zhang, K.;  Wang, Q.;  Wang, B.;  Xu, Y.;  Ma, X.
收藏  |  浏览/下载：1/0  |  提交时间：2019/11/21
On‐Surface Reactive Planarization of Pt Complexes 期刊论文
Angewandte Chemie International Edition, 2019, 卷号: Vol.58 No.43, 页码: 15396-15400
作者:  Jindong Ren;  Marvin Cnudde;  Dana Brünink;  Stefan Buss;  Constantin G. Daniliuc
收藏  |  浏览/下载：12/0  |  提交时间：2019/11/21
Fivefold Symmetry and 2D Crystallization: Self‐Assembly of the Buckybowl Pentaindenocorannulene on a Cu Surface. 期刊论文
Chemistry - A European Journal, 2019, 卷号: Vol.25 No.49, 页码: 11555-11559
作者:  Mairena, Anaï;  s;  Zoppi, Laura;  Lampart, Samuel;  Baldridge, Kim K
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/21
Carbon chain growth mechanism of higher alcohols synthesis from syngas on CoCu: A combined DFT and kMC study 期刊论文
Surface Science, 2019, 页码: 121513
作者:  Yingzhe Yu;  Jie Zhang;  Xuanyu Sun;  Minhua Zhang
收藏  |  浏览/下载：10/0  |  提交时间：2019/11/21
Structure sensitivity of CH formation from successive hydrogenation of C on cobalt: Insights from density functional theory 期刊论文
Chemical Physics Letters, 2019, 卷号: Vol.737, 页码: 136824
作者:  Heyuan Huang;  Yingzhe Yu;  Minhua Zhang
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/21
Mechanisms of Transforming CH to CO on Ni Surface by Density Functional Theory 期刊论文
Transactions of Tianjin University, 2019, 卷号: Vol.25 No.4, 页码: 330-339
作者:  Yu, Y.;  Lei, H.;  Wang, L.;  Zhang, M.
收藏  |  浏览/下载：7/0  |  提交时间：2019/11/21
Experimental and theoretical insights into the cyclotrimerization of acetylene during vinyl acetate synthesis 期刊论文
Chemical Engineering Journal, 2019, 卷号: Vol.378, 页码: 122183
作者:  Zhang, M.a,b;  Zhuang, J.a,b;  Wu, X.a,b;  Yu, Y.a,b
收藏  |  浏览/下载：1/0  |  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
Organometallic Group 11 Complexes of a trans-Doubly N-Confused Porphyrin: An “Expanded Imidazole” Structural Motif 期刊论文
Chemistry – A European Journal, 2017, 卷号: Vol.23 No.47, 页码: 11375-11384
作者:  Yan, Jiaying 1, 2, 3;  Yang, Yufeng 1;  Ishida, Masatoshi 1;  Mori, Shigeki 4;  Zhang, Bao 2
收藏  |  浏览/下载：6/0  |  提交时间：2019/11/26

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