An Ghysels

An Ghysels

Ghent University - Ghent / Belgium
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1397826
Universiteit Gent
person_outline An Ghysels's MOST POPULAR ARTICLES
1-) Advances in molecular quantum chemistry contained in the Q-Chem 4 program packageY Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...Molecular Physics 113 (2), 184-215, 201526332015
2-) First principle kinetic studies of zeolite-catalyzed methylation reactionsV Van Speybroeck, J Van der Mynsbrugge, M Vandichel, K Hemelsoet, ...Journal of the American Chemical Society 133 (4), 888-899, 20111782011
3-) TAMkin: a versatile package for vibrational analysis and chemical kineticsA Ghysels, T Verstraelen, K Hemelsoet, M Waroquier, V Van SpeybroeckJournal of chemical information and modeling 50 (9), 1736-1750, 20101642010
4-) Vibrational modes in partially optimized molecular systemsA Ghysels, D Van Neck, V Van Speybroeck, T Verstraelen, M WaroquierThe Journal of chemical physics 126 (22), 20071272007
5-) Normal mode analysis in zeolites: toward an efficient calculation of adsorption entropiesBA De Moor, A Ghysels, MF Reyniers, V Van Speybroeck, M Waroquier, ...Journal of Chemical Theory and Computation 7 (4), 1090-1101, 20111152011