High-Throughput Transition-State Searches in Zeolite Nanopores; Dataset of Converged Structures

Name: High-Throughput Transition-State Searches in Zeolite Nanopores; Dataset of Converged Structures
Creator: Zenodo
Published: 2025-04-11T20:58:10+08:00

Zenodo2025-04-11 更新2026-05-26 收录

沸石催化反应模拟

过渡态结构

数据链接：

https://zenodo.org/doi/10.5281/zenodo.15200091 数据链接链接失效反馈

官方服务：

资源简介：

Set of .cif files for the DFT minimma and TS converged structures referred on the paper.

提供机构：

Zenodo

创建时间：

2025-04-11

High-Throughput Transition-State Searches in Zeolite Nanopores; Dataset of Converged Structures

资源简介：

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