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Molecular Physics

An International Journal at the Interface Between Chemistry and Physics

Volume 121, 2023 - Issue 7-8: Special Issue of Molecular Physics in Memory of Nick Besley

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Memorial Issue for Nick Besley

Correcting π-delocalisation errors in conformational energies using density-corrected DFT, with application to crystal polymorphs

Bhaskar Ranaa Department of Chemistry and Biochemistry, The Ohio State University, Columbus, OH, USAView further author information

Gregory J. O. Beranb Department of Chemistry, University of California, Riverside, CA, USAView further author information

John M. Herberta Department of Chemistry and Biochemistry, The Ohio State University, Columbus, OH, USACorrespondence[email protected]
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Article: e2138789 | Received 26 Sep 2022, Accepted 15 Oct 2022, Published online: 26 Oct 2022

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https://doi.org/10.1080/00268976.2022.2138789
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Citations (3)

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Articles from other publishers (3)

Etienne Palos, Alessandro Caruso & Francesco Paesani. (2023) Consistent density functional theory-based description of ion hydration through density-corrected many-body representations. The Journal of Chemical Physics 159:18.
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Hayoung Yu, Suhwan Song, Seungsoo Nam, Kieron Burke & Eunji Sim. (2023) Density-Corrected Density Functional Theory for Open Shells: How to Deal with Spin Contamination. The Journal of Physical Chemistry Letters 14:41, pages 9230-9237.
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Pierpaolo Morgante & Jochen Autschbach. (2023) Density-Corrected Density Functional Theory for Molecular Properties. The Journal of Physical Chemistry Letters 14:21, pages 4983-4989.
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