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The Relative Thermodynamic Stability of Diamond and Graphite.
Angew Chem Int Ed Engl. 2021 Jan 18;60(3):1546-1549. doi: 10.1002/anie.202009897. Epub 2020 Nov 9.
Angew Chem Int Ed Engl. 2021.
PMID: 32970365
Non-Covalent Interactions in Molecular Crystals: Exploring the Accuracy of the Exchange-Hole Dipole Moment Model with Local Orbitals.
LeBlanc LM, Weatherby JA, Otero-de-la-Roza A, Johnson ER.
LeBlanc LM, et al. Among authors: weatherby ja.
J Chem Theory Comput. 2018 Nov 13;14(11):5715-5724. doi: 10.1021/acs.jctc.8b00797. Epub 2018 Oct 23.
J Chem Theory Comput. 2018.
PMID: 30351005
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A density-functional benchmark of vibrational free-energy corrections for molecular crystal polymorphism.
Weatherby JA, Rumson AF, Price AJA, Otero de la Roza A, Johnson ER.
Weatherby JA, et al.
J Chem Phys. 2022 Mar 21;156(11):114108. doi: 10.1063/5.0083082.
J Chem Phys. 2022.
PMID: 35317597
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