@article{castro:hal-01969167,
TITLE = {Are Solvent and Dispersion Effects Crucial in Olefin Polymerization DFT Calculations? Some Insights from Propylene Coordination and Insertion Reactions with Group 3 and 4 Metallocenes},
AUTHOR = {Castro, Ludovic and Kirillov, Evgueni and Miserque, Olivier and Welle, Alexandre and Haspeslagh, Luc and Carpentier, Jean-Fran{\c c}ois and Maron, Laurent},
URL = {https://hal.insa-toulouse.fr/hal-01969167},
JOURNAL = {ACS Catalysis},
PUBLISHER = {American Chemical Society},
VOLUME = {5},
NUMBER = {1},
PAGES = {416-425},
YEAR = {2014},
MONTH = Nov, HAL_ID = {hal-01969167},
HAL_VERSION = {v1},
}