Joaquín Ortega‐Castro

A Ni-based MOF for selective detection and removal of Hg²⁺ in aqueous medium: a facile strategy

Shibashis Halder, John Mondal, Joaquín Ortega‐Castro et al. · Dalton Transactions · 2017 · 122 citations

Application of a novel 2D cadmium(<scp>ii</scp>)-MOF in the formation of a photo-switch with a substantial on–off ratio

Sumit Roy, Arka Dey, Partha Pratim Ray et al. · Chemical Communications · 2015 · 118 citations

DFT prediction of band gap in organic-inorganic metal halide perovskites: An exchange-correlation functional benchmark study

Noemí Hernández-Haro, Joaquín Ortega‐Castro, Y.B. Martynov et al. · Chemical Physics · 2018 · 111 citations

Materials Science, Lead-free Perovskites, Engineering +14

Theoretical p<i>K</i>_a calculations with continuum model solvents, alternative protocols to thermodynamic cycles

Rodrigo Casasnovas, Joaquín Ortega‐Castro, Juan Frau et al. · International Journal of Quantum Chemistry · 2014 · 106 citations · Full text

Engineering, Continuum Model Solvents, Experimental Thermodynamics +19

Absolute and relative pKa calculations of mono and diprotic pyridines by quantum methods

Rodrigo Casasnovas, Juan Frau, Joaquín Ortega‐Castro et al. · Journal of Molecular Structure THEOCHEM · 2008 · 75 citations

Engineering, Physics, Natural Sciences +10