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CRYSTAL23: A Program for Computational Solid State Physics and Chemistry.
J Chem Theory Comput. 2023 Oct 24;19(20):6891-6932. doi: 10.1021/acs.jctc.2c00958. Epub 2022 Dec 11.
J Chem Theory Comput. 2023.
PMID: 36502394
Free PMC article.
Review.
Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and Crystals.
Cossard A, Desmarais JK, Casassa S, Gatti C, Erba A.
Cossard A, et al.
J Phys Chem Lett. 2021 Feb 25;12(7):1862-1868. doi: 10.1021/acs.jpclett.1c00100. Epub 2021 Feb 12.
J Phys Chem Lett. 2021.
PMID: 33577336
Free PMC article.
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Topology of the Electron Density and of Its Laplacian from Periodic LCAO Calculations on f-Electron Materials: The Case of Cesium Uranyl Chloride.
Cossard A, Casassa S, Gatti C, Desmarais JK, Erba A.
Cossard A, et al.
Molecules. 2021 Jul 12;26(14):4227. doi: 10.3390/molecules26144227.
Molecules. 2021.
PMID: 34299502
Free PMC article.
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