Olivier, Y.; Yurash, B.; Muccioli, L.; D’Avino, G.; Mikhnenko, O.; Sancho-García, J. C.; Adachi, C.; Nguyen, T. -. Q.; Beljonne, D., Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence, «PHYSICAL REVIEW MATERIALS», 2017, 1, Article number: 075602, pp. 1 - 6 [articolo]Open Access
Roscioni, Otello Maria; Muccioli, Luca; Zannoni, Claudio, Predicting the Conditions for Homeotropic Anchoring of Liquid Crystals at a Soft Surface. 4-n-Pentyl-4′-cyanobiphenyl on Alkylsilane Self-Assembled Monolayers, «ACS APPLIED MATERIALS & INTERFACES», 2017, 9, pp. 11993 - 12002 [articolo]
Davino, Gabriele; Muccioli, Luca; Olivier, Yoann; Beljonne, David, Charge Separation and Recombination at Polymer-Fullerene Heterojunctions: Delocalization and Hybridization Effects, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2016, 7, pp. 536 - 540 [articolo]Open Access
D'Avino, G.; Olivier, Y.; Muccioli, L; Beljonne, D., Do charges delocalize over multiple molecules in fullerene derivatives?, «JOURNAL OF MATERIALS CHEMISTRY. C», 2016, 4, pp. 3747 - 3756 [articolo]
D'Avino, Gabriele; Muccioli, Luca; Castet, Frédéric; Poelking, Carl; Andrienko, Denis; Soos, Zoltán G.; Cornil, Jérôme; Beljonne, David, Electrostatic phenomena in organic semiconductors: Fundamentals and implications for photovoltaics, «JOURNAL OF PHYSICS. CONDENSED MATTER», 2016, 28, Article number: 433002, pp. 1 - 21 [articolo]Open Access
Roscioni, OTELLO MARIA; Muccioli, Luca; Alexander, Mityashin; Jerome, Cornil; Zannoni, Claudio, Structural Characterization of Alkylsilane and Fluoroalkylsilane Self-Assembled Monolayers on SiO2 by Molecular Dynamics Simulations, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2016, 120, pp. 14652 - 14662 [articolo]
Moral, Mónica; Garzón, Andrés; Olivier, Yoann; Muccioli, Luca; Sancho-García, Juan Carlos; Granadino-Roldán, José M.; Fernández-Gómez, Manuel, Bis(arylene-ethynylene)-s-tetrazines: A Promising Family of n-Type Organic Semiconductors?, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2015, 119, pp. 18945 - 18955 [articolo]
Weber, Adrian C. J.; Burnell, E. Elliott; Meerts, W. Leo; de Lange, Cornelis A.; Dong, Ronald Y.; Muccioli, Luca; Pizzirusso, Antonio; Zannoni, Claudio, Communication: Molecular dynamics and H-1 NMR of n-hexane in liquid crystals, «THE JOURNAL OF CHEMICAL PHYSICS», 2015, 143, Article number: 011103, pp. 011103-1 - 011103-5 [articolo]
Moral, M; Son, W.-J.; Sancho-García, J.C.; Olivier, Y.; Muccioli, L., Cost-Effective Force Field Tailored for Solid-Phase Simulations of OLED Materials, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2015, 11, pp. 3383 - 3392 [articolo]
D'Avino, Gabriele; Muccioli, Luca; Zannoni, Claudio, From Chiral Islands to Smectic Layers: A Computational Journey Across Sexithiophene Morphologies on C-60, «ADVANCED FUNCTIONAL MATERIALS», 2015, 25, pp. 1985 - 1995 [articolo]
Palermo, Mattia Felice; Muccioli, Luca; Zannoni, Claudio, Molecular organization in freely suspended nano-thick 8CB smectic films. An atomistic simulation, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2015, 17, pp. 26149 - 26159 [articolo]
Moral, M; Muccioli, L.; Son, W.-J.; Olivier, Y.; Sancho-Garcia, J.C., Theoretical rationalization of the singlet-triplet gap in oleds materials: Impact of charge-transfer character, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2015, 11, pp. 168 - 177 [articolo]Open Access
J. Idé; R. Méreau; L. Ducasse ; F. Castet; H. Bock; Y. Olivier; J. Cornil; D. Beljonne; G. D’Avino; O. M. Roscioni; L.Muccioli; C. Zannoni, Charge Dissociation at Interfaces between Discotic Liquid Crystals: The Surprising Role of Column Mismatch, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2014, 136, pp. 2911 - 2920 [articolo]
Castet, Frédéric; D'Avino, Gabriele; Muccioli, Luca; Cornil, Jérôme; Beljonne, David, Charge separation energetics at organic heterojunctions: On the role of structural and electrostatic disorder, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2014, 16, pp. 20279 - 20290 [articolo]
Gabriele D’Avino;Luca Muccioli;Claudio Zannoni;David Beljonne;Zoltán G. Soos, Electronic Polarization in Organic Crystals: A Comparative Study of Induced Dipoles and Intramolecular Charge Redistribution Schemes, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2014, 10, pp. 4959 - 4971 [articolo]
