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Microkinetic modeling with machine learning predicted binding energies of reaction intermediates of ethanol steam reforming: The limitations 期刊论文
MOLECULAR CATALYSIS;, 2023, 卷号: 537
作者:  Xu, Wei;  Yang, Bo
Adobe PDF(1925Kb)  |  收藏  |  浏览/下载：361/0  |  提交时间：2023/03/24
Quantifying the error propagation in microkinetic modeling of catalytic reactions with model-predicted binding energies 期刊论文
MOLECULAR CATALYSIS, 2022, 卷号: 530
作者:  Lu, Yijun;  Wang, Baochuan;  Chen, Shuyue;  Yang, Bo
Adobe PDF(7601Kb)  |  收藏  |  浏览/下载：278/0  |  提交时间：2022/08/26
Atomically dispersed Rh on hydroxyapatite as an effective catalyst for tandem hydroaminomethylation of olefins 期刊论文
MOLECULAR CATALYSIS, 2021, 卷号: 509
作者:  Li, Xiao;  Li, Liusha;  Qin, Tingting;  Gun, Gong
Adobe PDF(5478Kb)  |  收藏  |  浏览/下载：275/0  |  提交时间：2021/07/16
Prediction of energies for reaction intermediates and transition states on catalyst surfaces using graph-based machine learning models 期刊论文
MOLECULAR CATALYSIS, 2020, 卷号: 498, 页码: #VALUE!
作者:  Wang, Baochuan;  Gu, Tangjie;  Lu, Yijun;  Yang, Bo
Adobe PDF(3598Kb)  |  收藏  |  浏览/下载：355/7  |  提交时间：2021/04/01
NiO-MgO nanoparticles confined inside SiO2 frameworks to achieve highly catalytic performance for CO2 reforming of methane 期刊论文
MOLECULAR CATALYSIS, 2017, 卷号: 432, 页码: 31-36
作者:  Xu, Jiayu;  Xiao, Qinglin;  Zhang, Jun;  Sun, Yuhan;  Zhu, Yan
Adobe PDF(2057Kb)  |  收藏  |  浏览/下载：678/1  |  提交时间：2017/07/04
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