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SPONGE: A GPU-Accelerated Molecular Dynamics Package with Enhanced Sampling and AI-Driven Algorithms 期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2022, 卷号: 40, 期号: 1, 页码: 160-168
作者:  Huang YP;  Xia YJ;  Yang LJ;  Wei JC(韦佳辰);  Yang YI
收藏  |  浏览/下载：47/0  |  提交时间：2022/01/13
Effect of turbulence-chemistry interaction on spray combustion: A large eddy simulation study 期刊论文
SAE Technical Papers, 2019, 卷号: 2019-April
作者:  Cai, J.;  Wang, T.;  Jia, M.;  Sun, K.;  Lu, Z.
收藏  |  浏览/下载：21/0  |  提交时间：2019/12/02
Mechanism(s) of thermal decomposition of N-Nitrosoamides: A density functional theory study 期刊论文
TETRAHEDRON, 2019, 卷号: 75, 页码: 929-935
作者:  Brea, Oriana[1];  Daver, Henrik[2];  Rebek, Julius, Jr.[3];  Himo, Fahmi[4]
收藏  |  浏览/下载：3/0  |  提交时间：2019/04/22
Waste Recycling: Ionic Liquid-Catalyzed 4-Electron Reduction of CO with Amines and Polymethylhydrosiloxane Combining Experimental and Theoretical Study 期刊论文
ACS Sustainable Chemistry & Engineering, 2018
作者:  Xiao-Ya Li;  Su-Su Zheng;  Xiao-Fang Liu;  Zhi-Wen Yang;  Tian-You Tan
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/26
Targets Fishing and Identification of Calenduloside E as Hsp90AB1: Design, Synthesis, and Evaluation of Clickable Activity-Based Probe 期刊论文
2018, 卷号: 9, 页码: 532
作者:  Wang, Shan;  Tian, Yu
收藏  |  浏览/下载：5/0  |  提交时间：2020/01/03
Hydrogenation of Carbon Dioxide to Methanol Catalyzed by Iron, Cobalt, and Manganese Cyclopentadienone Complexes: Mechanistic Insights and Computational Design 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2017, 卷号: 23, 期号: 37, 页码: 8850-8856
作者:  Ge, Hongyu;  Chen, Xiangyang;  Yang, Xinzheng
收藏  |  浏览/下载：14/0  |  提交时间：2019/04/09
QM/MM(ABEEM) Study on the Ligand Substitution Processes of Ruthenium(III) Complex NAMI-A 期刊论文
Chinese Journal of Chemistry, 2017, 卷号: Vol.35 No.3, 页码: 354-362
作者:  Hui Li;  Ting-Ting Sun;  Chao Zhang;  Linlin Liu;  Dongxia Zhao and Zhongzhi Yang
收藏  |  浏览/下载：4/0  |  提交时间：2019/02/27
Tailoring Hierarchical Zeolites with Designed Cationic Surfactants and Their High Catalytic Performance 期刊论文
CHEMISTRY-AN ASIAN JOURNAL, 2017, 卷号: 12, 页码: 2711-2719
作者:  Zhang, Kai[1];  Li, Chao[1];  Liu, Zewei[1];  Wang, Min[1];  Yan, Xin[1]
收藏  |  浏览/下载：18/0  |  提交时间：2019/04/24
Modelling Chemical Reasoning to Predict and Invent Reactions 期刊论文
8th Munster Symposium on Cooperative Effects in Chemistry, 2017, 卷号: 23, 页码: 6118-6128
作者:  Segler, Marwin H. S.[1];  Waller, Mark P.[2]
收藏  |  浏览/下载：4/0  |  提交时间：2019/04/24
ChemPreview: an augmented reality-based molecular interface 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2017, 卷号: 73, 页码: 18-23
作者:  
收藏  |  浏览/下载：4/0  |  提交时间：2019/04/24

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