Sérgio R. Tavares

Similarities between Zinc Hydroxide Chloride Monohydrate and Its Dehydrated Form: A Theoretical Study of Their Structures and Anionic Exchange Properties

Intercalation of indigo carmine anions into zinc hydroxide salt: A novel alternative blue pigment

Ab Initio Study of Layered Double Hydroxides Containing Iron and Its Potential Use as Fertilizer

Theoretical study of the anion exchange properties and the thermal decomposition of Zn5(OH)8(NO3)22H2O and Zn5(OH)8(NO3)22NH3

Ab initio simulations of the intercalation of iron(III) porphyrinates in Zn2Al-LDH: Structural analysis and evaluation of their basic and acid sites

DFT study of the intercalation of layered double hydroxides and layered hydroxide salts with dodecylsulfate and dodecylbenzene sulfonate: Exfoliation and hydration properties

A theoretical study of a homologous series of zinc n-alkanoates (2 ≤ nC ≤ 8): Structural analysis, evaluation of their interactions and monofilm formation

DFT calculations for structural prediction and applications of intercalated lamellar compounds

DFT-based calculations of the adsorptions of acetic acid, triacetin, methanol and the alkoxide formation on the surfaces of zinc acetate

Simulation of the chemical interactions of luminescent lanthanide complexes series [Ln(cin)3(H2O)3]·Hcin and [Ln2(cin)6(bpy)2] using DFT calculations