@article{garcia:hal-01357411, TITLE = {{Toward Mesoscale Properties of Self-Assembled Monolayers of SMM on Au(111): An Integrated Ad Hoc FF and DFT Study}}, AUTHOR = {Garcia, Guglielmo Fernandez and Lunghi, Alessandro and Totti, Federico and Sessoli, Roberta}, URL = {https://univ-rennes.hal.science/hal-01357411}, JOURNAL = {{Journal of Physical Chemistry C}}, PUBLISHER = {{American Chemical Society}}, VOLUME = {120}, NUMBER = {27}, PAGES = {14774--14781}, YEAR = {2016}, DOI = {10.1021/acs.jpcc.6b05017}, KEYWORDS = {single-molecule magnets ; force-field ; carbon nanotubes ; gold surface ; phase ; simulations ; spintronics ; potentials ; parameters ; interfaces}, HAL_ID = {hal-01357411}, HAL_VERSION = {v1}, }