artículo académico

• Preparación y análisis cristalográfico de un nuevo cristal multicomponente con un ácido α-hidroxicarboxílico y una piridincarboxamida
  2025-5-1
• A redefinition of global conceptual density functional theory reactivity indexes by means of the cubic expansions of the energy
  2025-3-28
• KLD: a program to elucidate the localization of the Fermi and Coulomb holes in molecular systems
  2024-8-1
• Computational evaluation of the oxidation of superoxide to molecular dioxygen mediated by NNNN-tetradentate copper complexes
  2024-12-2
• Exploring the bonding in alkaline earth halides AeX− (Ae = Be-Ba, X = F-I) from Fermi hole localization and QTAIM perspectives
  2024-1-1
• Towards the construction of an accurate kinetic energy density functional and its functional derivative through physics-informed neural networks
  2023-6-5
• Exploring the Non-Covalent Bonding in Water Clusters
  2023-3-9
• Revisiting the bonding of the pentagonal-pyramidal C6H62+ and C6(CH3)62+ dications
  2023-11-22
• A Theoretical Study of the C–X Bond Cleavage Mediated by Cob(II)Aloxime
  2023-10-26
• Two nickel (II) complexes with side chain isomeric ligands: L-leucine and L-isoleucine to study non-covalent interactions and metal-ligand bonding
  2022-3-29
• A Theoretical Study of the C–X Bond Cleavage Mediated by Cob(II)Aloxime
  2022-11-1
• Síntesis, caracterización espectroscópica, análisis térmico y estudio por difracción de rayos-X de dos nuevos complejos: L-leucinato de Ni(II) y L-isoleucinato de Ni(II)
  2022-1-1
• Synthesis, crystal structure, and non-covalent interactions in 4-hydrazinobenzoic acid hydrochloride
  2020-2-5
• N-acetyl-5-isopropyl-2-tioxoimidazolidin-4-one: Synthesis, spectroscopic characterization, crystal structure, DFT calculations, Hirshfeld surface analysis and energy framework study
  2020-11-5
• A topological study of the haxacoordinated carbon in the pentagonal-pyramidal benzene and hexamethylbenzene dications
  2020-11-1
• Solvent-free synthesis and crystal structure of rac-2-thiohydantoin-valine
  2019-1-1
• Structural characterization of 2-amino-2-oxoacetic acid by x-ray powder diffraction and quantum chemistry
  2019-1-1
• Crystal Structure Analysis and Topological Study of Non-covalent Interactions in 2,2-Biimidazole:Salicylic Acid 2:1 Co-crystal
  2017-4-1
• On the geometric and magnetic properties of the monomer, dimer and trimer of NiFe2O4
  2017-1-1
• Cooperative effects on the formation of supramolecular synthons of thiohydantoin derivatives
  2014-1-1
• Synthesis, crystal and supramolecular structure of rac-N-acetyl-2-thiohydantoin-asparagine
  2014-1-1
• Investigating the stability of double head to tail dimers and ribbons in multicomponent crystals of cis-4-aminocyclohexanecarboxilic acid with water and oxalic acid
  2013-5-1
• Synthesis, crystal structure analysis, small cluster geometries and energy study of (E)-Ethyl-4-(2-(thiofen-2-ylmethylene)hydrazinyl)benzoate
  2013-10-1
• Synthesis and crystal structure determination of hydantoin-l-proline
  2012-9-1
• Synthesis, crystal structure and hydrogen-bonding patterns in (RS)-1-carbamoyl pyrrolidine-2-carboxylic acid
  2012-4-1
• Cooperative efects on the formation of 4-methyloxycarbonyl-2-azetidinone clusters
  2012-1-1
• On the energetic and geometric description of the interaction between the isonipecotic and 1,1-cylobutanedicarboxilic acids
  2012-1-1
• On the crystal structures and hydrogen bond patterns in proline pseudopolymorphs
  2010-9-1
• Study of the conversion of N-carbamoyl-L-proline to hydantoin-L-proline using powder synchrotron X-ray diffraction
  2010-1-1
• Molecular and crystalline structures of three (S)-4-alkoxycarbonyl-2- azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data
  2009-1-1
• Redetermination of 1-carboxy-cyclo-hexan-1-aminium chloride
  2009-1-1
• (2S)-1-Carbamoylpyrrolidine-2-carboxylic acid
  2007-4-14