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RSC Advances|August 17, 2023
Exploration of the potential energy surface in mixed Zintl clusters applying an automatic Johnson polyhedra generator: the case of arachno E6M24- (E = Si, Ge, Sn; M = Sb, Bi)Rodrigo Báez-Grez, Diego Inostroza, Alejandro Vásquez-Espinal, et al.Inorganic Chemistry|November 14, 2025
Theoretical Prediction of a Stable Xenon Bis(diazaborolyl) Complex: A Donor-Acceptor ComplexLianbin Xie, Yahui Li, Luis Leyva-Parra, et al.Chemical Communications (Cambridge, England)|March 11, 2026
From local to global or semilocal aromaticity: singlet-triplet switching in porphyrin tapesSergio Moles Quintero, Luis Álvarez-Thon, William Tiznado, et al.Inorganic Chemistry|June 16, 2025
Ga5Li12+: A Doubly Aromatic Ga511- Ring Stabilized by Lithium CationsChagan Dari, Luis Leyva-Parra, Yi-Fan Yang, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 20, 2022
BH4 Ng+ (Ar-Rn): Viable Compounds with a B-Ng Covalent BondRicardo Pino-Rios, Alejandro Vásquez-Espinal, Sudip Pan, et al.Journal of Computational Chemistry|April 25, 2017
A Fukui function-guided genetic algorithm. Assessment on structural prediction of Sin (n = 12-20) clustersOsvaldo Yañez, Alejandro Vásquez-Espinal, Diego Inostroza, et al.The Journal of Chemical Physics|April 23, 2025
Double aromaticity in the triplet ground state of Be2©Be6H6: A 4π Baird and 6σ Hückel electron systemHui-Yu Zhang, Luis Leyva-Parra, Li-Juan Cui, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 26, 2025
Excited State Aromaticity Unveiled by Electron Localization Function TopologyAndrea Echeverri, Luis Leyva-Parra, Juan C Santos, et al.Journal of Computational Chemistry|January 28, 2017
Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital-weighted fukui functionRicardo Pino-Rios, Osvaldo Yañez, Diego Inostroza, et al.The Journal of Chemical Physics|July 9, 2026
Ligand-stabilized dilithium (C6F5)2Li2 featuring two planar tetracoordinate lithium and carbon centersYan Guo, Yahui Li, Yuqi Qiao, et al.Pageof 9