Fanciullo G.; Orlandi S.; Klymchenko A.S.; Muccioli L.; Rivalta I., Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations, «MOLECULES», 2023, 28, Article number: 4742 , pp. 1 - 13 [Scientific article]Open Access
Lorini, Emilio; Soprani, Lorenzo; Muccioli, Luca, Cocrystal Growth in Organic Semiconductor Thin Films: Simulation of Pentacene, Perfluoropentacene, and Their 1:1 Blend Deposited On Graphite, «ADVANCED THEORY AND SIMULATIONS», 2023, 6, Article number: 2300080 , pp. 1 - 12 [Scientific article]Open Access
Cranston, Rosemary R.; King, Benjamin; Dindault, Chloé; Grant, Trevor M.; Rice, Nicole A.; Tonnelé, Claire; Muccioli, Luca; Castet, Frédéric; Swaraj, Sufal; Lessard, Benoît H., Highlighting the processing versatility of a silicon phthalocyanine derivative for organic thin-film transistors, «JOURNAL OF MATERIALS CHEMISTRY. C», 2022, 10, pp. 485 - 495 [Scientific article]
Castet, Frédéric; Tonnelé, Claire; Muccioli, Luca; Champagne, Benoît, Predicting the Second-Order Nonlinear Optical Responses of Organic Materials: The Role of Dynamics, «ACCOUNTS OF CHEMICAL RESEARCH», 2022, 55, pp. 3716 - 3726 [Scientific article]Open Access
van der Lee, Arie; Polentarutti, Maurizio; Roche, Gilles H.; Dautel, Olivier J.; Wantz, Guillaume; Castet, Frédéric; Muccioli, Luca, Temperature-Dependent Structural Phase Transition in Rubrene Single Crystals: The Missing Piece from the Charge Mobility Puzzle?, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2022, 13, pp. 406 - 411 [Scientific article]
De Nicola A.; Correa A.; Giunchi A.; Muccioli L.; D'Avino G.; Kido J.; Milano G., Bidimensional H-Bond Network Promotes Structural Order and Electron Transport in BPyMPMs Molecular Semiconductor, «ADVANCED THEORY AND SIMULATIONS», 2021, 4, Article number: 2000302 , pp. 1 - 9 [Scientific article]Open Access
Li, Qian; Moussallem, Chady; Castet, Frédéric; Muccioli, Luca; Dourges, Marie-Anne; Toupance, Thierry; Nicolas, Yohann, Direct Triple Annulations: A Way to Design Large Triazastarphenes with Intertwined Hexagonal Packing, «ORGANIC LETTERS», 2021, 24, pp. 344 - 348 [Scientific article]
Segatta F.; Russo M.; Nascimento D.R.; Presti D.; Rigodanza F.; Nenov A.; Bonvicini A.; Arcioni A.; Mukamel S.; Maiuri M.; Muccioli L.; Govind N.; Cerullo G.; Garavelli M., In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2021, 17, pp. 7134 - 7145 [Scientific article]Open Access
Lorenzo Soprani, Lara Querciagrossa, Silvia Cristofaro, Luca Muccioli, Silvia Orlandi, Elena Strocchi, Alberto Arcioni, Roberto Berardi, Ionic Diffusion in Spherified Calcium Alginate Gels: A Laboratory Experiment, in: Handbook of Molecular Gastronomy, New York, CRC Press, 2021, pp. 689 - 701 [Chapter or essay]
Cranston R.R.; Vebber M.C.; Rice N.A.; Tonnele C.; Castet F.; Muccioli L.; Brusso J.L.; Lessard B.H., N-Type Solution-Processed Tin versus Silicon Phthalocyanines: A Comparison of Performance in Organic Thin-Film Transistors and in Organic Photovoltaics, «ACS APPLIED ELECTRONIC MATERIALS», 2021, 3, pp. 1873 - 1885 [Scientific article]Open Access
Hoyas S.; Roscioni O.M.; Tonneaux C.; Gerbaux P.; Cornil J.; Muccioli L., Peptoids as a Chiral Stationary Phase for Liquid Chromatography: Insights from Molecular Dynamics Simulations, «BIOMACROMOLECULES», 2021, 22, pp. 2573 - 2581 [Scientific article]Open Access
Lescos, Laurie; Beaujean, Pierre; Tonnelé, Claire; Aurel, Philippe; Blanchard-Desce, Mireille; Rodriguez, Vincent; de Wergifosse, Marc; Champagne, Benoît; Muccioli, Luca; Castet, Frédéric, Self-assembling, structure and nonlinear optical properties of fluorescent organic nanoparticles in water, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2021, 23, pp. 23643 - 23654 [Scientific article]Open Access
King B.; Melville O.A.; Rice N.A.; Kashani S.; Tonnele C.; Raboui H.; Swaraj S.; Grant T.M.; McAfee T.; Bender T.P.; Ade H.; Castet F.; Muccioli L.; Lessard B.H., Silicon phthalocyanines for N-type organic thin-film transistors: Development of structure−property relationships, «ACS APPLIED ELECTRONIC MATERIALS», 2021, 3, pp. 325 - 336 [Scientific article]
Cranston R.R.; Vebber M.C.; Berbigier J.F.; Rice N.A.; Tonnele C.; Comeau Z.J.; Boileau N.T.; Brusso J.L.; Shuhendler A.J.; Castet F.; Muccioli L.; Kelly T.L.; Lessard B.H., Thin-Film Engineering of Solution-Processable n-Type Silicon Phthalocyanines for Organic Thin-Film Transistors, «ACS APPLIED MATERIALS & INTERFACES», 2021, 13, pp. 1008 - 1020 [Scientific article]
Londi G.; Khan S.-U.-Z.; Muccioli L.; D'Avino G.; Rand B.P.; Beljonne D., Fate of Low-Lying Charge-Transfer Excited States in a Donor:Acceptor Blend with a Large Energy Offset, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2020, 11, pp. 10219 - 10226 [Scientific article]
