CASALEGNO, MOSE'
CASALEGNO, MOSE'
DIPARTIMENTO DI CHIMICA, MATERIALI E INGEGNERIA CHIMICA "GIULIO NATTA"
Casalegno, Mosè
A facile surfactant-free strategy to construct porous structures with hydrophobic and hydrophilic domains from polymer/water mixtures
2022-01-01 Partenope, Alessandra; Pizzetti, Fabio; Vanoli, Valeria; Casalegno, Mose; Cingolani, Alberto; Parreiras Nogueira, Liebert; Castiglione, Franca; Haugen, Håvard J.; Rossi, Filippo
A Solid State Density Functional Study of Crystalline Thiophene-Based Oligomers and Polymers
2012-01-01 Famulari, Antonino; Raos, Guido; Baggioli, Alberto; Casalegno, Mose'; Riccardo, Po; Meille, STEFANO VALDO
An Automated Group Contribution Method in Predicting Aquatic Toxicity: The Diatomic Fragment Approach
2005-01-01 Casalegno, M.; Benfenati, E.; Sello, G.
An Effective Two-Orbital Quantum Chemical Model for Organic Photovoltaic Materials
2013-01-01 Raos, Guido; Casalegno, Mose'; Ide', Julien
Association and diffusion of Li+ in carboxymethylcellulose solutions with application to environmentally friendly Li-ion batteries: a combined Molecular Dynamics and NMR study
2016-01-01 Casalegno, Mose'; Castiglione, Franca; Passarello, Marco; Mele, Andrea; Passerini, Stefano; Raos, Guido
Atomistic modeling of solid-state phase transitions in poly(3-alkylthiophenes): from form II to form I polymorphs.
2019-01-01 Casalegno, M.; Nicolini, T.; Famulari, A.; Raos, G.; Po, R.; Meille, S. V.
Atomistic modelling of entropy driven phase transitions between different crystal modifications in polymers: the case of poly(3-alkylthiophenes)
2018-01-01 Casalegno, Mosè; Nicolini, Tommaso; Famulari, Antonino; Raos, Guido; Po, Riccardo; Meille, Stefano V
Atomistic Simulation of Phase Transitions and Charge Mobility for the Organic Semiconductor Ph-BTBT-C10
2019-01-01 Baggioli, A.; Casalegno, M.; Raos, G.; Muccioli, L.; Orlandi, S.; Zannoni, C.
Carcinogenicity prediction of noncongeneric chemicals by augmented top priority fragment classification
2016-01-01 Casalegno, M.; Sello, G.
Characterization of chemical structures
2007-01-01 Benfenati, E.; Casalegno, M.; Cotterill, J.; Price, N.; Spreafico, M.; Toropov, A.
Chemomentum - UNICORE 6 based infrastructure for complex applications in science and technology
2008-01-01 Schuller, B.; Demuth, B.; Mix, H.; Rasch, K.; Romberg, M.; Sild, S.; Maran, U.; Bala, P.; Del Grosso, E.; Casalegno, M.; Piclin, N.; Pintore, M.; Sudholt, W.; Baldridge, K. K.
Coarse-grained kinetic modelling of bilayer heterojunction organic solar cells
2012-01-01 Casalegno, Mose'; C., Carbonera; S., Luzzati; Raos, Guido
Coarse-Grained Molecular Dynamics Simulations of Nylon-6 Nanofibers
2011-01-01 Milani, Alberto; Casalegno, Mose'; Castiglioni, Chiara; Raos, Guido
Coarse-Grained Simulations of Model Polymer Nanofibres
2011-01-01 Milani, Alberto; Casalegno, Mose'; Castiglioni, Chiara; Raos, Guido
Combined diffraction and modelling approaches: a key for an atomistic understanding of the structure and properties of polythiophenes?
2011-01-01 Casalegno, M.; Famulari, Antonino; Nicolini, T.; Raos, Guido; Carbonera, C.; Meille, STEFANO VALDO
Combined diffraction and modelling approaches: a key for an atomistic understanding of the structure and properties of polythiophenes?
2011-01-01 Casalegno, M.; Famulari, Antonino; Nicolini, T.; Raos, Guido; Carbonera, C.; Meille, STEFANO VALDO
Computing accurate forces in quantum Monte Carlo using Pulay's corrections and energy minimization
2003-01-01 Casalegno, M.; Mella, M.; Rappe, A. M.
Definition and detection of outliers in chemical space
2008-01-01 Casalegno, M.; Sello, G.; Benfenati, E.
Determination of Toxicant Mode of Action by Augmented Top Priority Fragment Class
2013-01-01 Casalegno, M.; Sello, G.
Electron transport in crystalline PCBM-like fullerene derivatives: a comparative computational study
2014-01-01 Ide', Julien; Daniele, Fazzi; Casalegno, Mose'; Meille, STEFANO VALDO; Raos, Guido