| 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 | 165 | 2019 |
| 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 | 137 | 2023 |
| 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 | 115 | 2017 |
| 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 | 92 | 2019 |
| 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 | 84 | 2011 |
| Concurrent optimization of organic donor–acceptor pairs through machine learning D Padula, A Troisi Advanced Energy Materials 9 (40), 1902463, 2019 | 76 | 2019 |
| 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 | 67 | 2022 |
| 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 | 63 | 2020 |
| 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 | 57 | 2016 |
| 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 | 51 | 2011 |
| 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 | 49 | 2008 |
| 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 | 37 | 2021 |
| 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 | 35 | 2017 |
| Bright Frenkel excitons in molecular crystals: a survey T Nematiaram, D Padula, A Troisi Chemistry of Materials 33 (9), 3368-3378, 2021 | 34 | 2021 |
| 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 | 34 | 2013 |
| 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 | 33 | 2017 |
| 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 | 33 | 2014 |
| 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 | 32 | 2016 |
| 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 | 32 | 2016 |
| 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 | 29 | 2013 |
Alessandro TroisiProfessor of Chemistry, University of LiverpoolVerified email at liverpool.ac.uk