five

RMG-Cat version 1.0 examples for automated reaction mechanism generation of heterogeneous catalysis

收藏
NIAID Data Ecosystem2026-03-10 收录
下载链接:
https://figshare.com/articles/dataset/RMG-Cat_version_1_0_examples_for_automated_reaction_mechanism_generation_of_heterogeneous_catalysis/4640098
下载链接
链接失效反馈
官方服务:
资源简介:
Files accompanying a manuscript describing the open-source software RMG-Cat, the version of Reaction Mechanism Generator modified for Heterogeneous Catalysis. We demonstrate its use in building a micro-kinetic model for the dry reforming of methane on nickel. Included are the input files, output files, and a Jupyter Python notebook containing all the post-processing needed to generate the figures, and the figures.
创建时间:
2017-02-10
二维码
社区交流群
二维码
科研交流群
商业服务