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Famulari, Antonino, Raos, Guido, Baggioli, Alberto, Casalegno, Mosè, Po, Riccardo, Meille, Stefano V. (2012) A Solid State Density Functional Study of Crystalline Thiophene-Based Oligomers and Polymers. The Journal of Physical Chemistry B, 116 (49). 14504-14509 doi:10.1021/jp310066q

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Reference TypeJournal (article/letter/editorial)
TitleA Solid State Density Functional Study of Crystalline Thiophene-Based Oligomers and Polymers
JournalThe Journal of Physical Chemistry B
AuthorsFamulari, AntoninoAuthor
Raos, GuidoAuthor
Baggioli, AlbertoAuthor
Casalegno, MosèAuthor
Po, RiccardoAuthor
Meille, Stefano V.Author
Year2012 (December 13)Volume116
Issue49
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp310066qSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID3880863Long-form Identifiermindat:1:5:3880863:0
GUID0
Full ReferenceFamulari, Antonino, Raos, Guido, Baggioli, Alberto, Casalegno, Mosè, Po, Riccardo, Meille, Stefano V. (2012) A Solid State Density Functional Study of Crystalline Thiophene-Based Oligomers and Polymers. The Journal of Physical Chemistry B, 116 (49). 14504-14509 doi:10.1021/jp310066q
Plain TextFamulari, Antonino, Raos, Guido, Baggioli, Alberto, Casalegno, Mosè, Po, Riccardo, Meille, Stefano V. (2012) A Solid State Density Functional Study of Crystalline Thiophene-Based Oligomers and Polymers. The Journal of Physical Chemistry B, 116 (49). 14504-14509 doi:10.1021/jp310066q
In(2012, December) The Journal of Physical Chemistry B Vol. 116 (49) American Chemical Society (ACS)

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Moreno, Margherita, Casalegno, Mosè, Raos, Guido, Meille, Stefano V., Po, Riccardo (2010) Molecular Modeling of Crystalline Alkylthiophene Oligomers and Polymers. The Journal of Physical Chemistry B, 114 (4). 1591-1602 doi:10.1021/jp9106124
Casalegno, Mosè, Nicolini, Tommaso, Famulari, Antonino, Raos, Guido, Po, Riccardo, Meille, Stefano V. (2018) Atomistic modelling of entropy driven phase transitions between different crystal modifications in polymers: the case of poly(3-alkylthiophenes). Physical Chemistry Chemical Physics, 20 (46). 28984-28989 doi:10.1039/c8cp05820b
Raos, Guido, Famulari, Antonino, Meille, Stefano V., Gallazzi, Maria C., Allegra, Giuseppe (2004) Interplay of Conformational States and Nonbonded Interactions in Substituted Bithiophenes. The Journal of Physical Chemistry A, 108 (4). 691-698 doi:10.1021/jp036614i
Casalegno, Mosè, Zanardi, Stefano, Frigerio, Francesco, Po, Riccardo, Carbonera, Chiara, Marra, Gianluigi, Nicolini, Tommaso, Raos, Guido, Meille, Stefano Valdo (2013) Solvent-free phenyl-C61-butyric acid methyl ester (PCBM) from clathrates: insights for organic photovoltaics from crystal structures and molecular dynamics. Chemical Communications, 49 (40). 4525pp. doi:10.1039/c3cc40863a
Castiglione, Franca, Famulari, Antonino, Raos, Guido, Meille, Stefano V., Mele, Andrea, Appetecchi, Giovanni Battista, Passerini, Stefano (2014) Pyrrolidinium-Based Ionic Liquids Doped with Lithium Salts: How Does Li+ Coordination Affect Its Diffusivity?. The Journal of Physical Chemistry B, 118 (47). 13679-13688 doi:10.1021/jp509387r
Baggioli, Alberto, Casalegno, Mosè, David, Alessio, Pasquini, Marta, Raos, Guido (2021) Polymer-Mediated Adhesion: Nanoscale Surface Morphology and Failure Mechanisms. Macromolecules, 54 (1) 195-202 doi:10.1021/acs.macromol.0c02343
Casalegno, Mosè, Famulari, Antonino, Meille, Stefano Valdo (2022) Modeling of Poly(3-hexylthiophene) and Its Oligomer’s Structure and Thermal Behavior with Different Force Fields: Insights into the Phase Transitions of Semiconducting Polymers. Macromolecules, 55 (7) 2398-2412 doi:10.1021/acs.macromol.2c00131
Frigerio, Francesco, Casalegno, Mosè, Carbonera, Chiara, Nicolini, Tommaso, Meille, Stefano Valdo, Raos, Guido (2012) Molecular dynamics simulations of the solvent- and thermal history-dependent structure of the PCBM fullerene derivative. Journal of Materials Chemistry, 22. 5434pp. doi:10.1039/c2jm16142g
Baggioli, Alberto, Meille, Stefano V., Famulari, Antonino (2017) Nucleophilicity and electrophilicity of the C(sp3)–H bond: methane and ethane binary complexes with iodine. Physical Chemistry Chemical Physics, 19 (36). 24555-24565 doi:10.1039/c7cp03488a
Casalegno, Mosè, Pastore, Raffaele, Idé, Julien, Po, Riccardo, Raos, Guido (2017) Origin of Charge Separation at Organic Photovoltaic Heterojunctions: A Mesoscale Quantum Mechanical View. The Journal of Physical Chemistry C, 121 (31). 16693-16701 doi:10.1021/acs.jpcc.7b03640
Baggioli, Alberto, Casalegno, Mosè, Raos, Guido, Muccioli, Luca, Orlandi, Silvia, Zannoni, Claudio (2019) Atomistic Simulation of Phase Transitions and Charge Mobility for the Organic Semiconductor Ph-BTBT-C10. Chemistry of Materials, 31. 7092-7103 doi:10.1021/acs.chemmater.9b02882
 
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