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Daniele Padula
Daniele Padula
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Cited by
Year
Combining electronic and structural features in machine learning models to predict organic solar cells properties
D Padula, JD Simpson, A Troisi
Materials Horizons 6 (2), 343-349, 2019
1412019
Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells
A Kuzmich, D Padula, H Ma, A Troisi
Energy & environmental science 10 (2), 395-401, 2017
1062017
Diversonol and Blennolide Derivatives from the Endophytic Fungus Microdiplodia sp.: Absolute Configuration of Diversonol
IN Siddiqui, A Zahoor, H Hussain, I Ahmed, VU Ahmad, D Padula, ...
Journal of natural products 74 (3), 365-373, 2011
792011
Singlet fission molecules among known compounds: finding a few needles in a haystack
D Padula, ÖH Omar, T Nematiaram, A Troisi
Energy & Environmental Science 12 (8), 2412-2416, 2019
782019
Concurrent optimization of organic donor–acceptor pairs through machine learning
D Padula, A Troisi
Advanced Energy Materials 9 (40), 1902463, 2019
662019
Synthesis, X-ray, and spectroscopic study of dissymmetric tetrahedral zinc (II) complexes from chiral Schiff base naphthaldiminate ligands with apparent exception to the ecd …
M Enamullah, G Makhloufi, R Ahmed, BA Joy, MA Islam, D Padula, ...
Inorganic Chemistry 55 (13), 6449-6464, 2016
542016
On the largest possible mobility of molecular semiconductors and how to achieve it
T Nematiaram, D Padula, A Landi, A Troisi
Advanced Functional Materials 30 (30), 2001906, 2020
522020
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ...
Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023
512023
Three New Antimicrobial Metabolites from the Endophytic Fungus Phomopsis sp.
I Ahmed, H Hussain, B Schulz, S Draeger, D Padula, G Pescitelli, ...
European Journal of Organic Chemistry 2011 (15), 2867-2873, 2011
502011
A chemical/computational approach to the determination of absolute configuration of flexible and transparent molecules: aliphatic diols as a case study
S Tartaglia, D Padula, P Scafato, L Chiummiento, C Rosini
The Journal of Organic Chemistry 73 (13), 4865-4873, 2008
462008
Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization
S Giannini, WT Peng, L Cupellini, D Padula, A Carof, J Blumberger
Nature Communications 13 (1), 2755, 2022
372022
Improved hemicryptophane hosts for the stereoselective recognition of glucopyranosides
A Schmitt, O Perraud, E Payet, B Chatelet, B Bousquet, M Valls, D Padula, ...
Organic & Biomolecular Chemistry 12 (24), 4211-4217, 2014
332014
Lignans from Schisandra sphenathera Rehd. et Wils. and semisynthetic schisantherin A analogues: absolute configuration, and their estrogenic and anti-proliferative activity
HW Liu, XZ Yu, D Padula, G Pescitelli, ZW Lin, F Wang, K Ding, M Lei, ...
European Journal of Medicinal Chemistry 59, 265-273, 2013
332013
Chromophore-dependent intramolecular exciton–vibrational coupling in the FMO complex: Quantification and importance for exciton dynamics
D Padula, MH Lee, K Claridge, A Troisi
The Journal of Physical Chemistry B 121 (43), 10026-10035, 2017
312017
Importance and nature of short-range excitonic interactions in light harvesting complexes and organic semiconductors
RP Fornari, P Rowe, D Padula, A Troisi
Journal of Chemical Theory and Computation 13 (8), 3754-3763, 2017
302017
Simulation of electronic circular dichroism of nucleic acids: From the structure to the spectrum
D Padula, S Jurinovich, L Di Bari, B Mennucci
Chemistry–A European Journal 22 (47), 17011-17019, 2016
302016
A simple dimeric model accounts for the vibronic ECD spectra of chiral polythiophenes in their aggregated states
D Padula, F Santoro, G Pescitelli
RSC advances 6 (44), 37938-37943, 2016
302016
Novel thermally activated delayed fluorescence materials by high-throughput virtual screening: going beyond donor–acceptor design
K Zhao, ÖH Omar, T Nematiaram, D Padula, A Troisi
Journal of Materials Chemistry C 9 (9), 3324-3333, 2021
282021
Intermolecular exciton coupling and vibronic effects in solid-state circular dichroism: a case study
G Pescitelli, D Padula, F Santoro
Physical Chemistry Chemical Physics 15 (3), 795-802, 2013
282013
Bright Frenkel excitons in molecular crystals: a survey
T Nematiaram, D Padula, A Troisi
Chemistry of Materials 33 (9), 3368-3378, 2021
272021
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