Works by Padula, Daniele

Results: 21

Concurrent Optimization of Organic Donor–Acceptor Pairs through Machine Learning.

Published in:

Advanced Energy Materials, 2019, v. 9, n. 40, p. N.PAG, doi. 10.1002/aenm.201902463

By:

Padula, Daniele;
Troisi, Alessandro

Publication type:

Article

Organic materials repurposing, a data set for theoretical predictions of new applications for existing compounds.

Published in:

Scientific Data, 2022, v. 9, n. 1, p. 1, doi. 10.1038/s41597-022-01142-7

By:

Omar, Ömer H.;
Nematiaram, Tahereh;
Troisi, Alessandro;
Padula, Daniele

Publication type:

Article

Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-30308-5

By:

Giannini, Samuele;
Peng, Wei-Tao;
Cupellini, Lorenzo;
Padula, Daniele;
Carof, Antoine;
Blumberger, Jochen

Publication type:

Article

Carrier Tunneling from Charge Transfer States in Organic Photovoltaic Cells.

Published in:

Advanced Functional Materials, 2021, v. 31, n. 29, p. 1, doi. 10.1002/adfm.202102000

By:

Devižis, Andrius;
Gelzinis, Andrius;
Chmeliov, Jevgenij;
Diethelm, Matthias;
Endriukaitis, Laurynas;
Padula, Daniele;
Hany, Roland

Publication type:

Article

On the Largest Possible Mobility of Molecular Semiconductors and How to Achieve It.

Published in:

Advanced Functional Materials, 2020, v. 30, n. 30, p. 1, doi. 10.1002/adfm.202001906

By:

Nematiaram, Tahereh;
Padula, Daniele;
Landi, Alessandro;
Troisi, Alessandro

Publication type:

Article

Retinal chromophore charge delocalization and confinement explain the extreme photophysics of Neorhodopsin.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-33953-y

By:

Palombo, Riccardo;
Barneschi, Leonardo;
Pedraza-González, Laura;
Padula, Daniele;
Schapiro, Igor;
Olivucci, Massimo

Publication type:

Article

On the fluorescence enhancement of arch neuronal optogenetic reporters.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-33993-4

By:

Barneschi, Leonardo;
Marsili, Emanuele;
Pedraza-González, Laura;
Padula, Daniele;
De Vico, Luca;
Kaliakin, Danil;
Blanco-González, Alejandro;
Ferré, Nicolas;
Huix-Rotllant, Miquel;
Filatov, Michael;
Olivucci, Massimo

Publication type:

Article

Three New Antimicrobial Metabolites from the Endophytic Fungus Phomopsis sp.

Published in:

European Journal of Organic Chemistry, 2011, v. 2011, n. 15, p. 2867, doi. 10.1002/ejoc.201100158

By:

Ahmed, Ishtiaq;
Hussain, Hidayat;
Schulz, Barbara;
Draeger, Siegfried;
Padula, Daniele;
Pescitelli, Gennaro;
van Ree, Teunis;
Krohn, Karsten

Publication type:

Article

Publisher Correction: Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-47500-4

By:

Giannini, Samuele;
Wei-Tao Peng;
Cupellini, Lorenzo;
Padula, Daniele;
Carof, Antoine;
Blumberger, Jochen

Publication type:

Article

Simulation of Electronic Circular Dichroism of Nucleic Acids: From the Structure to the Spectrum.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 47, p. 17011, doi. 10.1002/chem.201602777

By:

Padula, Daniele;
Jurinovich, Sandro;
Di Bari, Lorenzo;
Mennucci, Benedetta

Publication type:

Article

Magnetic Circular Dichroism of Porphyrin Lanthanide M<sup>3+</sup> Complexes.

Published in:

Chirality, 2014, v. 26, n. 10, p. 655, doi. 10.1002/chir.22365

By:

Andrushchenko, Valery;
Padula, Daniele;
Zhivotova, Elena;
Yamamoto, Shigeki;
Bouř, Petr

Publication type:

Article

Strong.

Published in:

Chirality, 2014, v. 26, n. 9, p. 102, doi. 10.1002/chir.22270

By:

Padula, Daniele;
Pietro, Sebastiano Di;
Capozzi, Maria Annunziata M.;
Cardellicchio, Cosimo;
Pescitelli, Gennaro

Publication type:

Article

Analysis of the Electronic Circular Dichroism Spectrum of (−)-[9](2,5)Pyridinophane.

Published in:

Chirality, 2012, v. 24, n. 12, p. 994, doi. 10.1002/chir.22087

By:

Padula, Daniele;
Di Bari, Lorenzo;
Santoro, Fabrizio;
Gerlach, Hans;
Rizzo, Antonio

Publication type:

Article

Elucidating the Relationship between Multiradical Character and Predicted Singlet Fission Activity.

Published in:

ChemPhotoChem, 2020, v. 4, n. 10, p. 5223, doi. 10.1002/cptc.202000098

By:

Omar, Ömer H.;
Padula, Daniele;
Troisi, Alessandro

Publication type:

Article

Front Cover: Mechanistic Aspects of the Asymmetric Transfer Hydrogenation in the Manufacture of Noradrenaline (Eur. J. Org. Chem. 36/2022).

Published in:

European Journal of Organic Chemistry, 2022, v. 2022, n. 36, p. 1, doi. 10.1002/ejoc.202201012

By:

Scorzelli, Francesco;
Tassone, Giusy;
Padula, Daniele;
Zacchè, Matteo

Publication type:

Article

Mechanistic Aspects of the Asymmetric Transfer Hydrogenation in the Manufacture of Noradrenaline.

Published in:

European Journal of Organic Chemistry, 2022, v. 2022, n. 36, p. 1, doi. 10.1002/ejoc.202200490

By:

Scorzelli, Francesco;
Tassone, Giusy;
Padula, Daniele;
Zacchè, Matteo

Publication type:

Article

A Combined Experimental-Computational Investigation to Uncover the Puzzling (Chiro-)optical Response of Pyridocyclophanes: One- and Two-Photon Spectra.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 34, p. 12136, doi. 10.1002/chem.201500557

By:

Padula, Daniele;
Lahoz, Inmaculada R.;
Díaz, Carlos;
Hernández, Florencio E.;
Di Bari, Lorenzo;
Rizzo, Antonio;
Santoro, Fabrizio;
Cid, M. Magdalena

Publication type:

Article

A Computational Perspective on the Reactivity of π‐spacers in Self‐Immolative Elimination Reactions.

Published in:

Chemistry - An Asian Journal, 2024, v. 19, n. 7, p. 1, doi. 10.1002/asia.202400010

By:

Padula, Daniele

Publication type:

Article

Formation of electron traps in semiconducting polymers via a slow triple-encounter between trap precursor particles.

Published in:

Science & Technology of Advanced Materials, 2024, v. 25, n. 1, p. 1, doi. 10.1080/14686996.2024.2312148

By:

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

Publication type:

Article

Shortwave infrared-absorbing squaraine dyes for all-organic optical upconversion devices.

Published in:

Science & Technology of Advanced Materials, 2021, v. 22, n. 1, p. 194, doi. 10.1080/14686996.2021.1891842

By:

Strassel, Karen;
Wei-Hsu Hu;
Osbild, Sonja;
Padula, Daniele;
Rentsch, Daniel;
Yakunin, Sergii;
Yevhen Shynkarenko;
Maksym Kovalenko;
Nüesch, Frank;
Hany, Roland

Publication type:

Article

How and How Much Molecular Conformation Affects Electronic Circular Dichroism: The Case of 1,1-Diarylcarbinols.

Published in:

Molecules, 2018, v. 23, n. 1, p. 128, doi. 10.3390/molecules23010128

By:

Padula, Daniele;
Pescitelli, Gennaro

Publication type:

Article