Irena Déroche

Adsorption of volatile organic compounds in pure silica CHA, ∗BEA, MFI and STT-type zeolites

A.-F. Cosseron, T. Jean Daou, Lydie Tzanis et al. · Microporous and Mesoporous Materials · 2013 · 99 citations

Chemical Engineering, Environmental Chemistry, Engineering +7

Adsorption of light hydrocarbons in the flexible MIL-53(Cr) and rigid MIL-47(V) metal–organic frameworks: a combination of molecular simulations and microcalorimetry/gravimetry measurements

Nilton Rosenbach, Aziz Ghoufi, Irena Déroche et al. · Physical Chemistry Chemical Physics · 2010 · 89 citations

CO2 adsorption in alkali cation exchanged Y faujasites: A quantum chemical study compared to experiments

David F. Plant, Guillaume Maurin, Irena Déroche et al. · Chemical Physics Letters · 2006 · 67 citations

Chemical Engineering, Engineering, Chemisorption +9

Investigation of CO2 adsorption in Faujasite systems: Grand Canonical Monte Carlo and molecular dynamics simulations based on a new derived Na+–CO2 force field

David F. Plant, Guillaume Maurin, Irena Déroche et al. · Microporous and Mesoporous Materials · 2006 · 64 citations

Chemical Engineering, Engineering, Chemisorption +8

Exploration of the Long-Chain <i>N</i>-Alkanes Adsorption and Diffusion in the MOF-Type MIL-47 (V) Material by Combining Experimental and Molecular Simulation Tools

Irena Déroche, Sébastien Rives, Thuy Khuong Trung et al. · The Journal of Physical Chemistry C · 2011 · 51 citations · Full text

Engineering, Mof-type Mil-47, Computational Chemistry +19