Moltemplate: A tool for coarse-grained modeling of complex biological matter and soft condensed matter physics AI Jewett, D Stelter, J Lambert, SM Saladi, OM Roscioni, M Ricci, L Autin, ...
Journal of molecular biology 433 (11), 166841, 2021
346 2021 Direct On-Surface Patterning of a Crystalline Laminar Covalent Organic Framework Synthesized at Room Temperature A de la Peña Ruigómez, D Rodríguez-San-Miguel, KC Stylianou, ...
Chemistry - A European Journal 21 (30), 10666-10670, 2015
163 2015 Detection of second hydration shells in ionic solutions by XANES: computed spectra for Ni2+ in water based on molecular dynamics P D'Angelo, OM Roscioni, G Chillemi, S Della Longa, M Benfatto
Journal of the American Chemical Society 128 (6), 1853-1858, 2006
83 2006 Host dependence of the electron affinity of molecular dopants J Li, I Duchemin, OM Roscioni, P Friederich, M Anderson, E Da Como, ...
Materials Horizons 6 (1), 107-114, 2019
79 2019 Predicting the anchoring of liquid crystals at a solid surface: 5-cyanobiphenyl on cristobalite and glassy silica surfaces of increasing roughness OM Roscioni, L Muccioli, RG Della Valle, A Pizzirusso, M Ricci, C Zannoni
Langmuir 29 (28), 8950-8958, 2013
77 2013 X-ray absorption spectroscopy of hemes and hemeproteins in solution: multiple scattering analysis P D’Angelo, A Lapi, V Migliorati, A Arcovito, M Benfatto, OM Roscioni, ...
Inorganic chemistry 47 (21), 9905-9918, 2008
72 2008 Charge dissociation at interfaces between discotic liquid crystals: the surprising role of column mismatch J Ide, R Méreau, L Ducasse, F Castet, H Bock, Y Olivier, J Cornil, ...
Journal of the American Chemical Society 136 (7), 2911-2920, 2014
63 2014 Structural Characterization of Alkylsilane and Fluoroalkylsilane Self-Assembled Monolayers on SiO2 by Molecular Dynamics Simulations OM Roscioni, L Muccioli, A Mityashin, J Cornil, C Zannoni
The Journal of Physical Chemistry C 120 (27), 14652-14662, 2016
52 2016 Multiscale modeling of the electrostatic impact of self-assembled monolayers used as gate dielectric treatment in organic thin-film transistors A Mityashin, OM Roscioni, L Muccioli, C Zannoni, V Geskin, J Cornil, ...
ACS Applied Materials & Interfaces 6 (17), 15372-15378, 2014
44 2014 Computational prediction of OM Roscioni, N Zonias, SWT Price, AE Russell, T Comaschi, CK Skylaris
Physical Review B—Condensed Matter and Materials Physics 83 (11), 115409, 2011
39 2011 Design rules to maximize charge-carrier mobility along conjugated polymer chains S Prodhan, J Qiu, M Ricci, OM Roscioni, L Wang, D Beljonne
The Journal of Physical Chemistry Letters 11 (16), 6519-6525, 2020
33 2020 Predicting the Conditions for Homeotropic Anchoring of Liquid Crystals at a Soft Surface. 4-n -Pentyl-4′-cyanobiphenyl on Alkylsilane Self-Assembled Monolayers OM Roscioni, L Muccioli, C Zannoni
ACS applied materials & interfaces 9 (13), 11993-12002, 2017
33 2017 Supramolecular organization of functional organic materials in the bulk and at organic/organic interfaces: A modeling and computer simulation approach L Muccioli, G D’Avino, R Berardi, S Orlandi, A Pizzirusso, M Ricci, ...
Multiscale Modelling of Organic and Hybrid Photovoltaics, 39-101, 2014
32 2014 MOLC. A reversible coarse grained approach using anisotropic beads for the modelling of organic functional materials M Ricci, OM Roscioni, L Querciagrossa, C Zannoni
Physical Chemistry Chemical Physics 21 (47), 26195-26211, 2019
31 2019 Pentacene crystal growth on silica and layer-dependent step-edge barrier from atomistic simulations OM Roscioni, G D’avino, L Muccioli, C Zannoni
The Journal of Physical Chemistry Letters 9 (23), 6900-6906, 2018
31 2018 Polymorphism of dioctyl-terthiophene within thin films: The role of the first monolayer C Lercher, C Röthel, OM Roscioni, YH Geerts, Q Shen, C Teichert, ...
Chemical physics letters 630, 12-17, 2015
26 2015 Quantitative analysis of XANES spectra of disordered systems based on molecular dynamics OM Roscioni, P D'Angelo, G Chillemi, S Della Longa, M Benfatto
Journal of synchrotron radiation 12 (1), 75-79, 2005
25 2005 Structural Characterization of Supported RhI (CO)2 /γ-Al2 O3 Catalysts by Periodic DFT Calculations OM Roscioni, JM Dyke, J Evans
The Journal of Physical Chemistry C 117 (38), 19464-19470, 2013
24 2013 Surface-Induced Phase of Tyrian Purple (6, 6′-Dibromoindigo): Thin Film Formation and Stability M Truger, OM Roscioni, C Röthel, D Kriegner, C Simbrunner, R Ahmed, ...
Crystal growth & design 16 (7), 3647-3655, 2016
19 2016 Time‐Resolved, In Situ DRIFTS/EDE/MS Studies on Alumina‐Supported Rhodium Catalysts: Effects of Ceriation and Zirconiation on Rhodium–CO Interactions AB Kroner, MA Newton, M Tromp, OM Roscioni, AE Russell, AJ Dent, ...
ChemPhysChem 15 (14), 3049-3059, 2014
15 2014 
Claudio ZannoniEmeritus Professor of Physical Chemistry, Universita' di Bologna, Bologna, ItalyEmail verificata su unibo.it
