Replication Data for: Predicting a dramatic decline in selectivity for catalytic esterification of alcohols from van der Waals interactions

Name: Replication Data for: Predicting a dramatic decline in selectivity for catalytic esterification of alcohols from van der Waals interactions
Creator: Harvard University
Published: 2021-01-01T00:00:00+08:00

Harvard Dataverse2021-05-11 更新2026-04-09 收录

催化反应预测

计算化学模拟

数据链接：

https://dataverse.harvard.edu/citation?persistentId=doi:10.7910/DVN/TD97JE 数据链接链接失效反馈

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资源简介：

The data underlying this published work have been made publicly available in this repository as part of the IMASC Data Management Plan. This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573.

提供机构：

Harvard University

创建时间：

2021-01-01