Louis Vanduyfhuys, Steven Vandenbrande, Jelle Wieme, Michel Waroquier, Toon Verstraelen, Veronique Van Speybroeck. Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks. Journal of Computational Chemistry, 39(16):999-1011, 2018. [doi]
@article{VanduyfhuysVWWV18,
title = {Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks},
author = {Louis Vanduyfhuys and Steven Vandenbrande and Jelle Wieme and Michel Waroquier and Toon Verstraelen and Veronique Van Speybroeck},
year = {2018},
doi = {10.1002/jcc.25173},
url = {https://doi.org/10.1002/jcc.25173},
researchr = {https://researchr.org/publication/VanduyfhuysVWWV18},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {39},
number = {16},
pages = {999-1011},
}