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Article(6)
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Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials(1)
Chemical Physics Letters(1)
Journal of Computational Methods in Sciences and Engineering(1)
Journal of Molecular Structure(1)
Journal of Physical Chemistry A(1)
A numerical calculation of the electronic specific heat for the compound Sr<inf>2</inf>RuO<inf>4</inf> below its superconducting transition temperature
ArticleAbstract: In this work, a numerical study of the superconducting specific heat of the unconventional multibandPalabras claves:Electronic specific heat, Gap structure, Line nodes, Point nodes, Superconducting density of states, Unconventional superconductorsAutores:Almeida R., Contreras P., José Luis Burgos, Ochoa E., Uzcategui D.Fuentes:scopusA topological study of the haxacoordinated carbon in the pentagonal-pyramidal benzene and hexamethylbenzene dications
ArticleAbstract: The nature of the hexacoordinated carbon in the pentagonal-pyramidal benzene and hexamethylbenzene dPalabras claves:Atoms in molecule, Carbon hypercoordination, Electron localization function, Topological analysisAutores:Almeida R., César H. Zambrano, Fernando Javier Torres, José Luis Burgos, Jose R. Mora, Luis E. Seijas, Luis Rincon, Paúl Pozo-GuerrónFuentes:googlescopusOn the geometric and magnetic properties of the monomer, dimer and trimer of NiFe<inf>2</inf>O<inf>4</inf>
ArticleAbstract: In this work, by employing Density Functional Theory, we compute and discuss some geometric and magnPalabras claves:conglomerates, DFT, DOS, ferrite, magnetic properties, spin densityAutores:Almeida R., Contreras P., José Luis Burgos, Luis E. SeijasFuentes:scopusTwo conformational polymorphs of 4-methylhippuric acid
ArticleAbstract: 4-Methylhippuric acid {systematic name: 2-[(4-methylbenzoyl)amino]ethanoic acid}, a p-xylene excretePalabras claves:conformational polymorphism, DFT calculations, Hirshfeld surface analysis, Hydrogen bonding, noncovalent interactions, QTAIM and NCI topological analysis, single-crystal X-ray diffractionAutores:Belandría L.N., Delgado G.E., Guillen M., José Luis Burgos, Luis E. Seijas, Luis Rincon, Mora A.J., Ramrez J.W.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:scopusStability of “no-pair ferromagnetic” lithium clusters
ArticleAbstract: High-spin lithium clusters, n+1Lin (n = 2−21), have been systematically studied by using density funPalabras claves:Autores:Almeida R., César H. Zambrano, Fernando Javier Torres, José Luis Burgos, Liu S., Luis Rincon, Marcos BecerraFuentes:scopus