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Scientific Data|February 4, 2026
Open Molecular Crystals 2025 (OMC25) dataset and modelsVahe Gharakhanyan, Luis Barroso-Luque, Yi Yang, et al.The Journal of Chemical Physics|August 2, 2024
Quantum chemical package Jaguar: A survey of recent developments and unique featuresYixiang Cao, Ty Balduf, Michael D Beachy, et al.The Journal of Physical Chemistry Letters|October 6, 2020
The Ground State Electronic Energy of BenzeneJanus J Eriksen, Tyler A Anderson, J Emiliano Deustua, et al.The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.Pageof 9