Unraveling aromaticity: the dual worlds of pyrazole, pyrazoline, and 3D carborane

Zahra Noori, Miquel Solà, Clara Viñas, Francesc Teixidor and Jordi Poater
Beilstein J. Org. Chem. 2025, 21, 412–420. https://doi.org/10.3762/bjoc.21.29

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Supporting Information File 1: Energy decomposition analysis of pyrazoleCC (fragments used, molecular orbitals overlaps, and fragment molecular orbitals), cartesian coordinates and energies of all compounds under analysis, and whole set of ring current density maps.
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Unraveling aromaticity: the dual worlds of pyrazole, pyrazoline, and 3D carborane
Zahra Noori, Miquel Solà, Clara Viñas, Francesc Teixidor and Jordi Poater
Beilstein J. Org. Chem. 2025, 21, 412–420. https://doi.org/10.3762/bjoc.21.29

How to Cite

Noori, Z.; Solà, M.; Viñas, C.; Teixidor, F.; Poater, J. Beilstein J. Org. Chem. 2025, 21, 412–420. doi:10.3762/bjoc.21.29

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  • Noori, Z.; Poater, J. Aromaticity switch of borabenzene: from aromatic when free or weakly aromatic when fused to 2D PAHs to non-aromatic when fused to 3D carboranes. Organic Chemistry Frontiers 2025. doi:10.1039/d5qo00449g
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