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 [Scientific article]
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 [Scientific article]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 [Scientific article]
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 [Scientific article]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 [Scientific article]
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 [Scientific article]
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 [Scientific article]
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 [Scientific article]
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 [Scientific article]
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 [Scientific article]
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 [Scientific article]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 [Scientific article]
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 [Scientific article]
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 [Scientific article]
Alexander Mityashin; Otello Maria Roscioni; Luca Muccioli; Claudio Zannoni; Victor Geskin; Jerome Cornil; Dimitri Janssen; Soeren Steudel; Jan Genoe; Paul Heremans, Multiscale Modeling of the Electrostatic Impact of Self-Assembled Monolayers used as Gate Dielectric Treatment in Organic Thin-Film Transistors, «ACS APPLIED MATERIALS & INTERFACES», 2014, 6, pp. 15372 - 15378 [Scientific article]
