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A DFT study on the active surfaces of the ZnGa2O4 spinel catalyst for CO2 hydrogenation to methanol 期刊论文
MOLECULAR CATALYSIS, 2025, 卷号: 582
作者:  Ziqi Tang;  YuanJie Bao;  Zhangqian Wei;  Shenggang Li
Adobe PDF(3952Kb)  |  收藏  |  浏览/下载:30/1  |  提交时间:2025/05/16
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:392/0  |  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:299/0  |  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;  Lin, Tiejun
Adobe PDF(5478Kb)  |  收藏  |  浏览/下载:309/0  |  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:381/7  |  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:708/1  |  提交时间:2017/07/04
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