| Low pH optical sensor based on benzothiazole azo dyes FL Coelho, C de Ávila Braga, GM Zanotto, ES Gil, LF Campo, ... Sensors and Actuators B: Chemical 259, 514-525, 2018 | 40 | 2018 |
| Proton-transfer-based azides with fluorescence off–on response for detection of hydrogen sulfide: an experimental, theoretical, and bioimaging study C Brito da Silva, ES Gil, F da Silveira Santos, AM Morás, L Steffens, ... The Journal of Organic Chemistry 83 (24), 15210-15224, 2018 | 38 | 2018 |
| Newton-X platform: New software developments for surface hopping and nuclear ensembles M Barbatti, M Bondanza, R Crespo-Otero, B Demoulin, PO Dral, ... Journal of Chemical Theory and Computation 18 (11), 6851-6865, 2022 | 37 | 2022 |
| Highly fluorescent lipophilic 2, 1, 3-benzothiadiazole fluorophores as optical sensors for tagging material and gasoline adulteration with ethanol VG Isoppo, ES Gil, PFB Gonçalves, FS Rodembusch, AV Moro Sensors and Actuators B: Chemical 309, 127701, 2020 | 23 | 2020 |
| Surface hopping dynamics with the Frenkel exciton model in a semiempirical framework ES Gil, G Granucci, M Persico Journal of Chemical Theory and Computation 17 (12), 7373-7383, 2021 | 19 | 2021 |
| Photocatalytic Reverse Semi‐Combustion Driven by Ionic Liquids MI Qadir, M Zanatta, ES Gil, HK Stassen, P Gonçalves, BAD Neto, ... ChemSusChem 12 (5), 1011-1016, 2019 | 19 | 2019 |
| Synthesis, photophysical characterization, CASSCF/CASPT2 calculations and CT-DNA interaction study of amino and azido benzazole analogues ES Gil, CB da Silva, PA Nogara, CH da Silveira, JBT da Rocha, ... Journal of Molecular Liquids 297, 111938, 2020 | 14 | 2020 |
| Intramolecular Hydroamination of Selenoalkynes to 2‐Selenylindoles in the Absence of Catalyst FL Coelho, ES Gil, PFB Gonçalves, LF Campo, PH Schneider Chemistry–A European Journal 25 (34), 8157-8162, 2019 | 14 | 2019 |
| On the nature of geometric and topological phases in the presence of conical intersections LM Ibele, E Sangiogo Gil, BFE Curchod, F Agostini The journal of physical chemistry letters 14 (51), 11625-11631, 2023 | 11 | 2023 |
| G-CTMQC F Agostini, E Marsili, F Talotta, C Pieroni, EV Arribas, LM Ibele, ES Gil available via the Internet at: gitlab. com/agostini. work/g-ctmqc, 2021 | 11 | 2021 |
| New long-chain donor-acceptor-donor pyromellitic diimide (PMDI) derivatives. A combined theoretical and experimental study AG Dal-Bó, R da Costa Duarte, R Cercená, M Peterson, J Rafique, ... Dyes and Pigments 157, 143-150, 2018 | 9 | 2018 |
| CASPT2, CASSCF and non-adiabatic molecular dynamics (NAMD) studies on the low-lying electronic states of 1 H-1, 2, 3-triazole photolysis ES Gil, BB de Araújo, PFB Gonçalves Physical Chemistry Chemical Physics 21 (46), 25809-25819, 2019 | 8 | 2019 |
| Investigating the Photodynamics of trans-Azobenzene with Coupled Trajectories C Pieroni, E Sangiogo Gil, LM Ibele, M Persico, G Granucci, F Agostini Journal of Chemical Theory and Computation 20 (2), 580-596, 2024 | 7 | 2024 |
| Frenkel exciton photodynamics of self-assembled monolayers of azobiphenyls E Sangiogo Gil, M Persico, G Granucci The Journal of Chemical Physics 157 (16), 2022 | 7 | 2022 |
| Ground and excited-state properties of 1, 3-benzoselenazole derivatives: A combined theoretical and experimental photophysical investigation CS Radatz, FL Coelho, ES Gil, F da Silveira Santos, JMFM Schneider, ... Journal of Molecular Structure 1207, 127817, 2020 | 6 | 2020 |
| MOPAC-PI: a program for excited state dynamics simulations based on nonadiabatic trajectories and semiempirical electronic structure calculations G Granucci, M Persico, D Accomasso, E Sangiogo Gil, S Corni, J Fregoni, ... https://gitlab.com/granucci/mopacpi, 2024 | 3* | 2024 |
| Exact Factorization of the Photon-Electron-Nuclear Wavefunction: Formulation and Coupled-Trajectory Dynamics ES Gil, D Lauvergnat, F Agostini | 1 | 2024 |
| Theoretical and Computational Chemistry Exact Factorization of the Photon-Electron-Nuclear Wavefunction: Formulation and Coupled-Trajectory Dynamics E Sangiogo Gil, D Lauvergnat, F Agostini ChemRxiv. doi:10.26434/chemrxiv-2024-94vbg, 2024 | | 2024 |
| SHARC meets TEQUILA: Mixed Quantum-Classical Dynamics on a Quantum Computer using a Hybrid Quantum-Classical Algorithm ES Gil, M Oppel, JS Kottmann, L González | | 2024 |
| Excitonic Approach for Nonadiabatic Dynamics: Extending Beyond the Frenkel Exciton Model ES Gil, A Giustini, D Accomasso, G Granucci | | 2024 |
