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Mostrati risultati da 1 a 20 di 71
Titolo Data di pubblicazione Autore(i) File Abstract
Three‐Step Synthesis Toward Fluorene‐Based Non‐Fused‐Ring Acceptors for Organic Solar Cells 1-gen-2026 Lafranconi, Virginia; Mallick, Suman; Nauta, Lisa; Inzko, Lisa; Hönigsberger, Julia; Babic, Danijel; Schlemmer, Bettina; Padula, Daniele; Amenitsch, Heinz; Rath, Thomas; Trimmel, Gregor -
Organic luminescent radicals with blue-green emission for organic light-emitting diodes 1-gen-2026 Zechner, Marco; Mallick, Suman; Schmallegger, Max; Padula, Daniele; Rath, Thomas; Trimmel, Gregor -
Delocalization versus coherence under vibrational and environmental disorder in photoexcited supramolecular aggregates 1-gen-2026 Giannini, Samuele; Segalina, Alekos; Padula, Daniele; Cantina, Marta; Pastore, Mariachiara; Prampolini, Giacomo; Santoro, Fabrizio -
Effect of thermal disorder on the electronic structure and the charge mobility of acenes 1-gen-2025 Landi, Alessandro; Ambrosio, Francesco; Leo, Anna; Padula, Daniele; Prampolini, Giacomo; Peluso, Andrea -
On the Role of Electronic Correlation and State‐Specific Environment Polarization in Singlet–Triplet Gap Inversion 1-gen-2025 Salvi, Ester; Agostini, Giacomo; Veglianti, Simone; Juliani Costa, Gustavo; De Vico, Luca; Padula, Daniele; Guido, Ciro A. -
Computational Design of (B)Chl Models: Structural and Chemical Modifications toward Enriched Properties 1-gen-2025 Daoud, Razan; Orlando, Anna; Rampino, Alberto; Tretti, Matteo; Desando, Massimo; Padula, Daniele; Hansen, Thorsten; De Vico, Luca -
Circularly Polarized Luminescence from an Inverted Singlet–Triplet Chiral Dye 1-gen-2025 Altinier, Alessandro; Machalska, Ewa; Fortunati, Ilaria; Raulin, Melvin; Zonta, Cristiano; Mazzeo, Giuseppe; Longhi, Giovanna; Fusè, Marco; Wurst, Klaus; Veglianti, Simone; De Vico, Luca; Padula, Daniele -
Toward Circularly Polarized Luminescence from Inherently Chiral Inverted Singlet–Triplet Chromophores 1-gen-2025 Veglianti, Simone; Michieletti, Alessandro; Padula, Daniele -
Anticooperative self-assembly of perylene diimide dyes in water unveiled by advanced molecular dynamics simulations 1-gen-2025 Cantina, Marta; Padula, Daniele; Segalina, Alekos; Giannini, Samuele; Santoro, Fabrizio; Prampolini, Giacomo; Pastore, Mariachiara -
JOYCE3.0: A General Protocol for the Specific Parametrization of Accurate Intramolecular Quantum Mechanically Derived Force Fields 1-gen-2025 Giannini, Samuele; Martinez, P. M.; Semmeq, Abderrahmane; Galvez, J. Pablo; Piras, Anna; Landi, Alessandro; Padula, Daniele; Vilhena, J. G.; Cerezo, Javier; Prampolini, Giacomo -
Multiscale Modeling of Charge Transport in Organic Semiconductors: Assessing the Validity of the Harmonic Approximation for Low-Frequency Vibrations 1-gen-2025 Padula, Daniele; Barneschi, Leonardo; Landi, Alessandro -
A Set of Quantum-Mechanically Derived Force Fields for Natural and Synthetic Retinal Photoswitches 1-gen-2025 Daoud, Razan E.; Veglianti, Simone; Piras, Anna; Semmeq, Abderrahmane; Giannini, Samuele; Prampolini, Giacomo; Padula, Daniele -
Genesis of the Chirality of Polythiophene Aggregates from Classical Molecular Dynamics 1-gen-2024 Romagnoli, Noemi; Padula, Daniele -
Fast Nonradiative Decay Paths in Organic Solar Cells: Implications for Designing More Efficient Photovoltaic Systems 1-gen-2024 Landi, Alessandro; Padula, Daniele; Peluso, Andrea -
Molecular geometry impact on deep learning predictions of inverted singlet–triplet gaps 1-gen-2024 Barneschi, Leonardo; Rotondi, Leonardo; Padula, Daniele -
A computational perspective on the reactivity of π‐spacers in self‐immolative elimination reactions 1-gen-2024 Padula, Daniele -
Formation of electron traps in semiconducting polymers via a slow triple-encounter between trap precursor particles 1-gen-2024 Sedghi, Mohammad; Vael, Camilla; Hu, Wei-Hsu; Bauer, Michael; Padula, Daniele; Landi, Alessandro; Lukovic, Mirko; Diethelm, Matthias; Wetzelaer, Gert-Jan; Blom, Paul W. M.; Nüesch, Frank; Hany, Roland -
Discriminating Clockwise and Counterclockwise Photoisomerization Paths in Achiral Photoswitches by Excited-State Electronic Circular Dichroism 1-gen-2024 Padula, Daniele -
A novel bioresponsive self-immolative spacer based on aza-quinone methide reactivity for the controlled release of thiols, phenols, amines, sulfonamides or amides 1-gen-2024 Ermini, Elena; Brai, Annalaura; Cini, Elena; Finetti, Federica; Giannini, Giuseppe; Padula, Daniele; Paradisi, Lucrezia; Poggialini, Federica; Trabalzini, Lorenza; Tolu, Paola; Taddei, Maurizio -
Assessing alkyl side chain effects on electron transport properties of Y6-derived non-fullerene acceptors 1-gen-2023 Padula, D.; Landi, A.; Prampolini, G. -
Mostrati risultati da 1 a 20 di 71
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