O. M. Roscioni

发表

Supramolecular organization of functional organic materials in the bulk and at organic/organic interfaces: a modeling and computer simulation approach.

C. Zannoni, R. Berardi, L. Muccioli, 2014, Topics in current chemistry.

Predicting the anchoring of liquid crystals at a solid surface: 5-cyanobiphenyl on cristobalite and glassy silica surfaces of increasing roughness.

C. Zannoni, R. G. Della Valle, L. Muccioli, 2013, Langmuir : the ACS journal of surfaces and colloids.

Detection of second hydration shells in ionic solutions by XANES: computed spectra for Ni2+ in water based on molecular dynamics.

G. Chillemi, M. Benfatto, S. Della Longa, 2006, Journal of the American Chemical Society.

MOLC. A reversible coarse grained approach using anisotropic beads for the modelling of organic functional materials.

C. Zannoni, M. Ricci, O. M. Roscioni, 2019, Physical chemistry chemical physics : PCCP.

Host dependence of the electron affinity of molecular dopants

Pascal Friederich, C. Zannoni, X. Blase, 2019, Materials Horizons.

Surface-Induced Phase of Tyrian Purple (6,6′-Dibromoindigo): Thin Film Formation and Stability

I. Salzmann, E. Głowacki, R. Resel, 2016, Crystal growth & design.

Design Rules to Maximize Charge-Carrier Mobility along Conjugated Polymer Chains.

D. Beljonne, Linjun Wang, Jing Qiu, 2020, The journal of physical chemistry letters.

Wettability of soft PLGA surfaces predicted by experimentally augmented atomistic models

G. Sukhorukov, L. Persichetti, M. Sebastiani, 2022, MRS Bulletin.

Development and testing of a compact basis set for use in effective core potential calculations on rhodium complexes

Edmond P. F. Lee, John M. Dyke, Otello M. Roscioni, 2012, J. Comput. Chem..

Predicting the Conditions for Homeotropic Anchoring of Liquid Crystals at a Soft Surface. 4-n-Pentyl-4'-cyanobiphenyl on Alkylsilane Self-Assembled Monolayers.

C. Zannoni, L. Muccioli, O. M. Roscioni, 2017, ACS applied materials & interfaces.

Quantitative analysis of XANES spectra of disordered systems based on molecular dynamics.

M. Benfatto, S. Della Longa, O. M. Roscioni, 2005, Journal of synchrotron radiation.

3D to 2D reorganization of silver-thiol nanostructures, triggered by solvent vapor annealing.

F. Stellacci, L. Giorgini, H. Amenitsch, 2018, Nanoscale.

Moltemplate: A Tool for Coarse-Grained Modeling of Complex Biological Matter and Soft Condensed Matter Physics.

Shyam M. Saladi, D. Goodsell, G. Jensen, 2021, Journal of molecular biology.

Structural characterisation of supported Rh(CO)2/gam-Al2O3 catalysts by periodic DFT calculations

J. Dyke, O. M. Roscioni, J. Evans, 2013 .

Charge dissociation at interfaces between discotic liquid crystals: the surprising role of column mismatch.

C. Zannoni, H. Bock, J. Idé, 2014, Journal of the American Chemical Society.

Direct On-Surface Patterning of a Crystalline Laminar Covalent Organic Framework Synthesized at Room Temperature.

Kyriakos C. Stylianou, M. Cavallini, K. Stylianou, 2015, Chemistry.

Polymorphism of dioctyl-terthiophene within thin films: The role of the first monolayer

C. Teichert, R. Resel, G. Leising, 2015, Chemical physics letters.

Multiscale modeling of the electrostatic impact of self-assembled monolayers used as gate dielectric treatment in organic thin-film transistors.

Soeren Steudel, Jan Genoe, Paul Heremans, 2014, ACS applied materials & interfaces.

Anisotropic Electrostatic Interactions in Coarse-Grained Water Models to Enhance the Accuracy and Speed-Up Factor of Mesoscopic Simulations

M. Fasano, M. Ricci, O. M. Roscioni, 2021, The journal of physical chemistry. B.

X-ray absorption spectroscopy of hemes and hemeproteins in solution: multiple scattering analysis.

A. Arcovito, M. Benfatto, A. Lapi, 2008, Inorganic chemistry.

Are Coarse-Grained Structures as Good as Atomistic Ones for Calculating the Electronic Properties of Organic Semiconductors?

C. Zannoni, G. D’Avino, M. Ricci, 2023, The Journal of Physical Chemistry C.

Peptoids as a Chiral Stationary Phase for Liquid Chromatography: Insights from Molecular Dynamics Simulations.

J. Cornil, P. Gerbaux, L. Muccioli, 2021, Biomacromolecules.

Microscopic origins of charge transport in triphenylene systems

Alison B. Walker, Matteo Ricci, Claudio Zannoni, 2018, Physical Review Materials.

On the importance of detailed structure in molecular electronics (and why microscopic models cannot see the wood for trees)

C. Zannoni, A. Walker, Ian R Thompson, 2018, Liquid Crystals.

Pentacene Crystal Growth on Silica and Layer-Dependent Step-Edge Barrier from Atomistic Simulations.

C. Zannoni, L. Muccioli, G. D’Avino, 2018, The journal of physical chemistry letters.

Structural Characterization of Alkylsilane and Fluoroalkylsilane Self-Assembled Monolayers on SiO2 by Molecular Dynamics Simulations

C. Zannoni, J. Cornil, L. Muccioli, 2016 .

Predicting the anchoring of liquid crystals at a solid surface: 5-cyanobiphenyl on cristobalite and glassy silica surfaces of increasing roughness.

C. Zannoni, R. G. Della Valle, L. Muccioli, 2013, Langmuir : the ACS journal of surfaces and colloids.

Local structure of Ge2Sb2Te5 during crystallization under pressure

R. Simpson, Xilin Zhou, Paulo S Branicio, 2018 .

Computational prediction of L_{3} EXAFS spectra of gold nanoparticles from classical molecular dynamics simulations

Chris-Kriton Skylaris, Stephen W. T. Price, Nicholas Zonias, 2011 .

Time-Resolved, In Situ DRIFTS/EDE/MS Studies on Alumina-Supported Rhodium Catalysts: Effects of Ceriation and Zirconiation on Rhodium–CO Interactions

A. Dent, C. Prestipino, M. Newton, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.