Toon Verstraelen

Toon Verstraelen

Ghent University - Ghent / Belgium
Natural Sciences / Molecular Biology & Genetics
AD Scientific Index ID: 1387965
Universiteit Gent
person_outline Toon Verstraelen's MOST POPULAR ARTICLES
1-) The ReaxFF reactive force-field: development, applications and future directionsTP Senftle, S Hong, MM Islam, SB Kylasa, Y Zheng, YK Shin, ...npj Computational Materials 2 (1), 1-14, 201612272016
2-) 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
3-) QuickFF: A program for a quick and easy derivation of force fields for metal‐organic frameworks from ab initio inputL Vanduyfhuys, S Vandenbrande, T Verstraelen, R Schmid, M Waroquier, ...Journal of Computational Chemistry 36 (13), 1015-1027, 20151532015
4-) Minimal basis iterative stockholder: atoms in molecules for force-field developmentT Verstraelen, S Vandenbrande, F Heidar-Zadeh, L Vanduyfhuys, ...Journal of Chemical Theory and Computation 12 (8), 3894-3912, 20161822016
5-) Metal–organic frameworks as potential shock absorbers: the case of the highly flexible MIL-53(Al)PG Yot, Z Boudene, J Macia, D Granier, L Vanduyfhuys, T Verstraelen, ...Chemical Communications 50 (67), 9462-9464, 20141432014