Electronic Structure Analysis of the Diels–Alder Cycloaddition Catalyzed by Alkali-Exchanged Faujasites

por Rohling, Roderigh Y., Tranca, Ionut C., Hensen, Emiel J. M., Pidko, Evgeny A.
Publicado 2018

Mechanistic Insight into the [4 + 2] Diels–Alder Cycloaddition over First Row d-Block Cation-Exchanged Faujasites

por Rohling, Roderigh Y., Tranca, Ionut C., Hensen, Emiel J. M., Pidko, Evgeny A.
Publicado 2018

Correlations between Density-Based Bond Orders and Orbital-Based Bond Energies for Chemical Bonding Analysis

por Rohling, Roderigh Y., Tranca, Ionut C., Hensen, Emiel J. M., Pidko, Evgeny A.
Publicado 2019

Gibbs Ensemble Monte Carlo for Reactive Force Fields to Determine the Vapor–Liquid Equilibrium of CO(2) and H(2)O

por Heijmans, Koen, Tranca, Ionut C., Smeulders, David M. J., Vlugt, Thijs J. H., Gaastra-Nedea, Silvia V.
Publicado 2020

Reactive Grand-Canonical Monte Carlo Simulations for Modeling Hydration of MgCl(2)

por Heijmans, Koen, Tranca, Ionut C., Chang, Ming-Wen, Vlugt, Thijs J. H., Gaastra-Nedea, Silvia V., Smeulders, David M. J.
Publicado 2021

An Active Alkali-Exchanged Faujasite Catalyst for p-Xylene Production via the One-Pot Diels–Alder Cycloaddition/Dehydration Reaction of 2,5-Dimethylfuran with Ethylene

por Rohling, Roderigh Y., Uslamin, Evgeny, Zijlstra, Bart, Tranca, Ionut C., Filot, Ivo A. W., Hensen, Emiel J. M., Pidko, Evgeny A.
Publicado 2017