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Intra- and Inter-Molecular Spin Coupling in Phenalenyl Dimeric Systems.
J Phys Chem A. 2021 Aug 19;125(32):6893-6901. doi: 10.1021/acs.jpca.1c02705. Epub 2021 Aug 5.
J Phys Chem A. 2021.
PMID: 34353026
Molecular and Supramolecular Interactions in Systems with Nitroxide-Based Radicals.
Buta MC, Toader AM, Frecus B, Oprea CI, Cimpoesu F, Ionita G.
Buta MC, et al.
Int J Mol Sci. 2019 Sep 24;20(19):4733. doi: 10.3390/ijms20194733.
Int J Mol Sci. 2019.
PMID: 31554219
Free PMC article.
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The Density Functional Theory Account of Interplaying Long-Range Exchange and Dispersion Effects in Supramolecular Assemblies of Aromatic Hydrocarbons with Spin.
Toader AM, Buta MC, Mischie A, Putz MV, Cimpoesu F.
Toader AM, et al. Among authors: buta mc.
Molecules. 2021 Dec 22;27(1):45. doi: 10.3390/molecules27010045.
Molecules. 2021.
PMID: 35011275
Free PMC article.
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Atoms in Generalized Orbital Configurations: Towards Atom-Dedicated Density Functionals.
Toader AM, Buta MC, Maftei D, Putz MV, Cimpoesu F.
Toader AM, et al. Among authors: buta mc.
Int J Mol Sci. 2019 Nov 26;20(23):5943. doi: 10.3390/ijms20235943.
Int J Mol Sci. 2019.
PMID: 31779138
Free PMC article.
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