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

Volltext

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

Volltext

Exploring the bonding in alkaline earth halides AeX - (Ae = Be-Ba, X = F-I) from Fermi hole localization and QTAIM perspectives von Rincon, Luis, Bedoya, Valeria, Seijas, Luis E, Rodríguez, Vladimir, Zambrano, Cesar, Torres, F Javier

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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.

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

Synthesis, crystal and supramolecular structure of rac-N-acetyl-2- thiohydantoin-asparagine von Gerzon E. Delgado, Kristal N. Varela, Rohixa V. Araque, Jesús A. Rodríguez, Asiloé J. Mora, Luis E. Seijas

Volltext

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

Volltext

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

Volltext

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.

Volltext

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.

Volltext

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

Volltext

(2S)-1-Carbamoylpyrrolidine-2-carboxylic acid von Seijas, Luis E., Delgado, Gerzon E., Mora, Asiloé J., Bahsas, Ali, Briceño, Alexander

Volltext