Revisiting the bonding of the pentagonal-pyramidal C6H62+ and C6(CH3)62+ dications von Seijas, Luis E, Almeida, Rafael, Rincón, Luis, Zambrano, Cesar, Rodríguez, Vladimir, Merino, Gabriel, Torres, F Javier

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Revisiting the bonding of the pentagonal-pyramidal C 6 H 6 2+ and C 6 (CH 3 ) 6 2+ dications von Seijas, Luis E, Almeida, Rafael, Rincón, Luis, Zambrano, Cesar, Rodríguez, Vladimir, Merino, Gabriel, Torres, F Javier

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Exploring the Non-Covalent Bonding in Water Clusters von Seijas, Luis E, Zambrano, Cesar H, Almeida, Rafael, Alí-Torres, Jorge, Rincón, Luis, Torres, Fernando Javier

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Computational evaluation of the oxidation of superoxide to molecular dioxygen mediated by NNNN-tetradentate copper complexes von Montoya-Moreno, Nicolás, Seijas, Luis E, Flores-Gaspar, Areli, Torres, F Javier, Alí-Torres, Jorge

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A Theoretical Study of the C–X Bond Cleavage Mediated by Cob(II)Aloxime von Seijas, Luis E., Zambrano, Cesar H., Rodríguez, Vladimir, Alí-Torres, Jorge, Rincón, Luis, Torres, F. Javier

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KLD: a program to elucidate the localization of the Fermi and Coulomb holes in molecular systems von Bedoya, Valeria, Rodríguez, Vladimir, Rincón, Luis, Zambrano, Cesar, Seijas, Luis, Torres, F. Javier

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Towards the construction of an accurate kinetic energy density functional and its functional derivative through physics-informed neural networks von Rincón, Luis, Seijas, Luis E, Almeida, Rafael, Javier Torres, F

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Two conformational polymorphs of 4‐methylhippuric acid von Guillén, Marilia, Mora, Asiloé J., Belandria, Lusbely M., Seijas, Luis E., Ramírez, Jeans W., Burgos, José L., Rincón, Luis, Delgado, Gerzon E.

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Should the Endoscopic Restrictions during COVID-19 Pandemic Remain Unchanged? von Bresky, Emilio, Bresky, Gustavo, Lancellotti, Domingo, Madariaga, Juan, Licuime, Sebastian, Palma, Paulette, Saez, Fabian, Rojas, Maria Jose, Seijas, Luis

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Non‐covalent interactions in the multicomponent crystal of 1‐aminocyclopentane carboxylic acid, oxalic acid and water: a crystallographic and a theoretical approach von Mora, Asiloé J., Belandria, Lusbely M., Delgado, Gerzon E., Seijas, Luis E., Lunar, Angel, Almeida, Rafael

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Investigating the Stability of Double Head to Tail Dimers and Ribbons in Multicomponent Crystals of cis-4-Aminocyclohexanecarboxilic Acid with Water and Oxalic Acid von Mora, Asiloé J, Belandria, Lusbely M, Ávila, Edward E, Seijas, Luis E, Delgado, Gerzon E, Miró, Aira, Almeida, Rafael, Brunelli, Michela, Fitch, Andrew N

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Revisiting the bonding of the pentagonal-pyramidal CH and C(CH) dications von Seijas, Luis E, Almeida, Rafael, Rincón, Luis, Zambrano, Cesar, Rodríguez, Vladimir, Merino, Gabriel, Torres, F. Javier

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A Theoretical Study of the C–X Bond Cleavage Mediated by CobAloxime von Seijas, Luis E, Zambrano, Cesar H, Rodríguez, Vladimir, Alí-Torres, Jorge, Rincón, Luis, Torres, F. Javier

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A topological study of the haxacoordinated carbon in the pentagonal-pyramidal benzene and hexamethylbenzene dications von Pozo-Guerron, Paul, Seijas, Luis E., Burgos, Jose Luis, Rincon, Luis, Torres, F. Javier, Mora, Jose R., Zambrano, Cesar, Almeida, Rafael

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Combined DFT calculation, Hirshfeld surface analysis, and Energy framework study of non-covalent interactions in the crystal structure of (Z)-5-ethylidene-2-thiohydantoin determine... von Delgado, Gerzon E., Mora, Asiloé J., Seijas, Luis E., Rincón, Luis, Marroquin, Gustavo, Cisterna, Jonathan, Cárdenas, Alejandro, Brito, Iván

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Synthesis, crystal structure, and non-covalent interactions in 4-hydrazinobenzoic acid hydrochloride von Morales-Toyo, Miguel, Cubillán, Néstor, Glidewell, Christopher, Seijas, Luis, Boscan-Melean, Katerin, Restrepo, Jelen

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Two nickel (II) complexes with side chain isomeric ligands: L-leucine and L-isoleucine to study non-covalent interactions and metal-ligand bonding von Seijas, Luis E., Belandria, Lusbely M., Vivas, Pedro J., Guillén, Marilia, Burgos, José L., Fitch, Andrew N., Wright, Jonathan, Rincón, Luis, Delgado, Gerzon E., Mora, Asiloé J.

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Molecular and crystalline structures of three (S)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data von Seijas, Luis E., Mora, Asiloé J., Delgado, Gerzon E., López-Carrasquero, Francisco, Báez, María E., Brunelli, Michela, Fitch, Andrew N.

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N-acetyl-5-isopropyl-2-tioxoimidazolidin-4-one: Synthesis, spectroscopic characterization, crystal structure, DFT calculations, Hirshfeld surface analysis and energy framework stud... von Delgado, Gerzon E., Mora, Asiloé J., Seijas, Luis E., Almeida, Rafael, Chacón, Cecilia, Azotla-Cruz, Liliana, Cisterna, Jonathan, Cárdenas, Alejandro, Brito, Iván

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On the crystal structures and hydrogen bond patterns in proline pseudopolymorphs von Seijas, Luis E., Delgado, Gerzon E., Mora, Asiloé J., Fitch, Andrew N., Brunelli, Michela

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