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Journal of Molecular Structure(2)
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Electron Paramagnetic Resonance study of hopping in CCTO mixed with TiO<inf>2</inf>
ArticleAbstract: Electron Paramagnetic Resonance (EPR) is used to study the transport properties in CaCu3Ti4O12(CCTO)Palabras claves:CCTO, electron paramagnetic resonance, Linewidth, Polaron hopping, TiO 2Autores:Costa-Kramer J.L., Delgado G.E., Fernández J.F., Leret P., Pedro Silva, Vivas L.Fuentes:scopusN-acetyl-5-isopropyl-2-tioxoimidazolidin-4-one: Synthesis, spectroscopic characterization, crystal structure, DFT calculations, Hirshfeld surface analysis and energy framework study
ArticleAbstract: Studies based on the role of non-covalent interactions in supramolecular structure of materials withPalabras claves:DFT calculations, Energy framework, Hirshfeld surface analysis, Hydrogen bonding patterns, Thiohydantoin, X-ray crystal structureAutores:Almeida R., Azotla-Cruz L., Brito I., Cárdenas A., Chacón C., Cisterna J., Delgado G.E., Luis E. Seijas, Mora A.J.Fuentes:scopusNon-covalent interactions in the multicomponent crystal of 1-aminocyclopentane carboxylic acid, oxalic acid and water: A crystallographic and a theoretical approach
ArticleAbstract: Single-crystal X-ray diffraction and quantum mechanical theories were used to examine in detail thePalabras claves:amino acids, cocrystal, DFT-PBC calculations, electron localization functions, Hydrogen bonds, multicomponent crystals, noncovalent interactions, Supramolecular chemistryAutores:Almeida R., Belandría L.N., Delgado G.E., Luis E. Seijas, Lunar A., Mora A.J.Fuentes:scopusInvestigating the stability of double head to tail dimers and ribbons in multicomponent crystals of cis-4-aminocyclohexanecarboxilic acid with water and oxalic acid
ArticleAbstract: The current contribution aims to investigate the stability of commonly occurring motifs present in cPalabras claves:Autores:Almeida R., Belandría L.N., Brunelli M., Delgado G.E., Edward E. Ávila, Fitch A.N., Luis E. Seijas, Miró A., Mora A.J.Fuentes:scopusTwo nickel (II) complexes with side chain isomeric ligands: L-leucine and L-isoleucine to study non-covalent interactions and metal-ligand bonding
ArticleAbstract: Two new Ni(II) complexes with isomeric α-amino acid ligands were prepared and studied from SynchrotrPalabras claves:Metal-α-amino acid complex, Non-covalent interaction, Powder diffractionAutores:Belandría L.N., Delgado G.E., Fitch A.N., Guillen M., José Luis Burgos, Luis E. Seijas, Luis Rincon, Mora A.J., Vivas P.J., Wright J.Fuentes:scopusSolvent-free synthesis and crystal structure of rac-2-thiohydantoin-valine
ArticleAbstract: Thiohydantoins have been used in the manufacture of medicines and in industrial processes. DependingPalabras claves:Crystal structure, Hydrogen bonds, Solvent-free synthesis, Supramolecular chemistry, ThiohydantoinAutores:Delgado G.E., Gonzalez T., Luis E. Seijas, Mora A.J., Rivas P., Santos I.Fuentes:scopusStructural characterization of 2-amino-2-oxoacetic acid by x-ray powder diffraction and quantum chemistry
ArticleAbstract: 2-amino-2-oxoacetic acid, carbamoyl formic acid, or oxamic acid is an active pharmaceutical ingbkp_rPalabras claves:Hydrogen bonding, Oxamic acid, PM7 calculation, Powder X-ray diffractionAutores:Belandría L.N., Delgado G.E., Guillen M., Luis E. Seijas, Mora A.J.Fuentes:scopusStructure and conformational analysis of a bidentate pro-ligand, C <inf>21</inf>H<inf>34</inf>N<inf>2</inf>S<inf>2</inf>, from powder synchrotron diffraction data and solid-state DFTB calculations
ArticleAbstract: The molecular and crystalline structure of ethyl 1′,2′, 3′,4′,4a′,5′,6′,7′- octahydrodispiro[cyclohePalabras claves:Autores:Brunelli M., Contreras R.R., Delgado G.E., Edward E. Ávila, Fitch A.N., Luis Rincon, Mora A.J.Fuentes:googlescopusSynthesis, characterization and magnetic properties of CoFe <inf>2</inf>O<inf>4</inf> nanoparticles using peg as surfactant
ArticleAbstract: Cobalt ferrite (CoFe2O4) nanoparticles were synthesized using polyethyleneglycol as surfactant in aPalabras claves:characterization, Cobalt ferrite, magnetic properties, Nanoparticles, SynthesisAutores:Cañizales E., Delgado G.E., Diaz Y., Eric Plaza, Pedro Silva, Sarah Briceño, Werner Brämer-EscamillaFuentes:scopusSynthesis, spectroscopic characterization, thermal analysis and X-ray diffraction study of two new complexes: Ni(II) L-leucinate and Ni(II) L-isoleucinate
ArticleAbstract: In this work is presented the synthesis and characterization of the metal complexesL-leucine-Ni (L-LPalabras claves:Powder X-ray diffraction, transition metal complexes, α-amino acidsAutores:Belandría L.N., Delgado G.E., Luis E. Seijas, Mora A.J., Vivas P.J.Fuentes:scopus