Supplemental Data for "Quantum Mechanical and Machine Learning Prediction of Rotational Energy Barriers in Halogenated Aromatic Alcohols"

Name: Supplemental Data for "Quantum Mechanical and Machine Learning Prediction of Rotational Energy Barriers in Halogenated Aromatic Alcohols"
Creator: Steven Cerabona
Published: 2025-02-25T08:05:57.428Z
Keywords: Chemistry

Cerabona, Steven; Brown, Gordon; Casabianca, Leah

doi:10.17632/z2hz9prrb2.1

Supplemental Data for "Quantum Mechanical and Machine Learning Prediction of Rotational Energy Barriers in Halogenated Aromatic Alcohols"

Published: 25 February 2025| Version 1 | DOI: 10.17632/z2hz9prrb2.1

Contributors:

Steven Cerabona,

, Leah Casabianca

Description

Geometry optimization output files for structures considered in the above paper.

Supplemental Data for "Quantum Mechanical and Machine Learning Prediction of Rotational Energy Barriers in Halogenated Aromatic Alcohols"

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