| Redox potentials of polyoxometalates from an implicit solvent model and QM/MM molecular dynamics E Falbo, TJ Penfold The Journal of Physical Chemistry C 124 (28), 15045-15056, 2020 | 19 | 2020 |
| Integration of quantum chemistry, statistical mechanics, and artificial intelligence for computational spectroscopy: The UV–vis spectrum of TEMPO radical in different solvents E Falbo, M Fusè, F Lazzari, G Mancini, V Barone Journal of Chemical Theory and Computation 18 (10), 6203-6216, 2022 | 17 | 2022 |
| A monomeric methyllithium complex: synthesis and structure N Davison, E Falbo, PG Waddell, TJ Penfold, E Lu Chemical Communications 57 (50), 6205-6208, 2021 | 17 | 2021 |
| On the analysis of X-ray absorption spectra for polyoxometallates E Falbo, CD Rankine, TJ Penfold Chemical Physics Letters 780, 138893, 2021 | 16 | 2021 |
| Untangling the Context-Specificity of Essential Genes by Means of Machine Learning: A Constructive Experience M Giordano, E Falbo, L Maddalena, M Piccirillo, I Granata Biomolecules 14 (1), 18, 2023 | 4 | 2023 |
| HessFit: A Toolkit to Derive Automated Force Fields from Quantum Mechanical Information E Falbo, A Lavecchia Journal of Chemical Information and Modeling, 2024 | 1 | 2024 |
| A Chemical Modification of a Peroxisome Proliferator-Activated Receptor Pan Agonist Produced a Shift to a New Dual Alpha/Gamma Partial Agonist Endowed with Mitochondrial … A Laghezza, C Cerchia, M Genovese, R Montanari, D Capelli, J Wackerlig, ... European Journal of Medicinal Chemistry, 116567, 2024 | 1 | 2024 |
| Using Theoretical Chemistry to understand the Properties of Polyoxometalates and their potential as energy storage materials E Falbo https://doi.org/10.6084/m9.figshare.19701547.v1, 2021 | 1 | 2021 |
| Direct Force Constants for Spectroscopic Analysis from Quantum Mechanical Information: SmartField Force Field E Falbo This content is an early or alternative research output and has not been …, 2022 | | 2022 |
| Design of MoS₂-Graphene Heterostructures for Electrocatalysis of the Hydrogen Evolution Reaction E Falbo UNIVERSITÀ DEGLI STUDI DI NAPOLI FEDERICO II, 2017 | | 2017 |
Tom PenfoldChemistry, University of Newcastle在 ncl.ac.uk 的电子邮件经过验证
