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A simple method for the determination of the Tolman electronic parameter of different phosphorus containing ligands, by means of the average local ionization energy
ArticleAbstract: Abstract The average local ionization energy (I(r)) was tested as a theoretical descriptor of the ToPalabras claves:Average local ionization energy, Cone angle, Electrostatic potential, Phosphines and Phosphites basicity, Tolman electronic parameterAutores:Alba Beatriz Vidal, Añez R., David Santiago Coll, Ocando-Mavárez E., Rodríguez J.A., Sierraalta A.Fuentes:scopusPeriodic DFT study of Ti deposition on defective Si(1 0 0) surfaces
ArticleAbstract: Defective Si(1 0 0) surfaces have been used with the aim to explore from a theoretical point of viewPalabras claves:Defective surface, DFT calculations, Si(1 0 0), Ti depositionAutores:Añez R., Bastardo A., David Santiago Coll, Díaz L., Sierraalta A.Fuentes:scopusStudy of temperature and ligand flexibility effects on coordination polymer formation from cyclobutanetetracarboxylic acid
ArticleAbstract: Three new coordination polymers based on the combination of rctt-1,2,3,4-cyclobutanetretracarboxylicPalabras claves:Autores:Añez R., Bello L., Bricẽo A., Edward E. Ávila, Escalona A., Gonzalez T., Mora A.J., Quintero M.Fuentes:googlescopus