Publications

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Extensive DFT analysis of Rb2XTlCl6 (X = Al, K) double perovskites: Exploring potential for thermoelectric and optoelectronic applications

Computational Condensed Matter | Vol. 46 | Issue . | 2026

DOI: https://doi.org/10.1016/j.cocom.2026.e01224

Effects of Lewis Basicity and Acidity on σ-Hole Interactions in Carbon-Bearing Complexes: A Comparative Ab Initio Study

International Journal of Molecular Sciences | 2022

DOI: https://doi.org/10.3390/ ijms232113023