Supplementary Information

AIP Publishing 2026 Open access

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Authors: Daniil Kargin, Yunpeng Lu
DOI: 10.60893/figshare.jcp.30855155.v1
Cited by: 0

Abstract

Optimized DFT geometries and transition state data for different models, as well as vibrational state calculation results, including wavefunctions

Publication details

Journal / source
AIP Publishing
Publication date
1 January 2026