Geert O. A. Janssens

Comparison of Cluster and Infinite Crystal Calculations on Zeolites with the Electronegativity Equalization Method (EEM)

Geert O. A. Janssens, Bart G. Baekelandt, H. Toufar et al. · The Journal of Physical Chemistry · 1995 · 118 citations

Crystal Structure, Engineering, Altmetric Attention Score +16

Dependence of the Hardness of Atoms in Molecules on the Local Environment:  An <i>ab Initio</i> Study

H. Toufar, K.H.L. Nulens, Geert O. A. Janssens et al. · The Journal of Physical Chemistry · 1996 · 30 citations

Engineering, Computational Chemistry, Chemistry +16

Investigation of Supramolecular Systems by a Combination of the Electronegativity Equalization Method and a Monte Carlo Simulation Technique

H. Toufar, Bart G. Baekelandt, Geert O. A. Janssens et al. · The Journal of Physical Chemistry · 1995 · 24 citations

Molecular Sciences, Engineering, Chemical Analysis +14

Average local electrostatic potential and the core‐valency separation in atoms

K. D. Sen, T. V. Gayatri, R. Krishnaveni et al. · International Journal of Quantum Chemistry · 1995 · 15 citations

Localized Excited State, Engineering, Computational Chemistry +16

Charge sensitivity analysis of the interaction of pyrrole with basic FAU-type zeolites using the electronegativity equalization method

R. Heidler, Geert O. A. Janssens, Wilfried J. Mortier et al. · Microporous Materials · 1997 · 15 citations

Materials Science, Chemical Engineering, Engineering +9