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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 determined by powder X-ray diffraction
ArticleAbstract: The thiohydantoin core is used in the synthesis and development of new drugs. Furthermore, the studyPalabras claves:Energy framework, Hirshfeld surface analysis, hydrogen bond patterns, NCI calculations, Powder X-ray diffraction, ThiohydantoinAutores:Brito I., Cárdenas A., Cisterna J., Delgado G.E., Luis E. Seijas, Luis Rincon, Marroquin G., Mora A.J.Fuentes:scopus(2S)-1-Carbamoylpyrrolidine-2-carboxylic acid
ArticleAbstract: In the title compound, also known as N-carbamoyl-l-proline, C6H10N2O3, the pyrrolidine ring adopts aPalabras claves:Autores:Bahsas A., Bricẽo A., Delgado G.E., Luis E. Seijas, Mora A.J.Fuentes:scopusCooperative efects on the formation of 4-methyloxycarbonyl-2-azetidinone clusters
Conference ObjectAbstract: In this paper we study the manifestations of cooperative effects in the formation of clusters4-methyPalabras claves:Cooperative effects, Hydrogen bond, supramolecular structureAutores:Almeida R., Delgado G.E., Luis E. Seijas, Luis Rincon, Mora And A.Fuentes:scopusCooperative effects on the formation of supramolecular synthons of thiohydantoin derivatives
ArticleAbstract: In this paper we study the manifestations of cooperative effects in the formation of supramolecularPalabras claves:Cooperative effects, Hydrogen bond, supramolecular synthonsAutores:Almeida R., Delgado G.E., Luis E. Seijas, Mora A.J.Fuentes:scopusCrystal structure of 2-thiohydantoin-L-isoleucine synthesized under solvent-free conditions
ArticleAbstract: The title compound with systematic name: (S)-5-secbutyl-2-thiohydantoin, is synthesized through a soPalabras claves:Crystal structure, Hydrogen bonds, ThiohydantoinAutores:Almeida R., Delgado G.E., Gonzalez T., Luis E. Seijas, Mora A.J.Fuentes:scopusElectron 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:scopusEffects of synthesis variables on the magnetic properties of CoFe <inf>2</inf>O <inf>4</inf> nanoparticles
ArticleAbstract: Cobalt ferrite nanoparticles (CoFe 2O 4) have been synthesized using precipitation in water solutionPalabras claves:Chemical synthesis, Magnetic measurement, Nanostructured materialAutores:Cañizales E., Delgado G.E., Eric Plaza, Palacios J.K., Pedro Silva, Sarah Briceño, Werner Brämer-EscamillaFuentes:scopusN-Carbamoyl-Piperidine-4-Carboxylic Acid: An X-ray and Density Functional Tight-Binding Studies
ArticleAbstract: The compound N-carbamoyl-piperidine-4-carbocylic acid was synthesized and characterized by FT-IR andPalabras claves:Crystal structure, DFTB calculation, Hydrogen bonds, N-carbamoylAutores:Bricẽo A., Chacón C., Delgado G.E., Edward E. Ávila, Gonzalez T., Mora A.J.Fuentes:googlescopusN-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:scopus