Published April 26, 2023 | Version v1
Dataset Open

Structure Databases: Analysis and Augmentation of Guest-Host Interaction Energy Models as CHA and AEI Zeolite Crystallization Phase Predictors

Authors/Creators

  • 1. University of Notre Dame
  • 2. Universtiy of Notre Dame

Description

Structures and energies associated with the paper: Analysis and Augmentation of Guest-Host Interaction Energy Models as CHA and AEI Zeolite Crystallization Phase Predictors

Files

Classic-High_Temp_MD-DB.zip

Files (762.3 MB)

Name Size
md5:8766c8cbd8152a0b1275215d1e1542e5
753.3 MB Preview Download
md5:ba1b00fc59c657a2bcff12ead2cc815b
107.4 kB Preview Download
md5:22549a6b7c05e5f66b18d0d7533cb5fe
8.8 MB Preview Download
md5:80262b7f934d91a1c2ac35488df7960c
128.4 kB Preview Download