Effects of static correlation between spin centers in multicenter transition metal complexes S Chu, D Bovi, F Cappelluti, AG Orellana, H Martin, L Guidoni Journal of Chemical Theory and Computation 13 (10), 4675-4683, 2017 | 16 | 2017 |
Stepping away from serendipity in Deep Eutectic Solvent formation: Prediction from precursors ratio F Cappelluti, A Mariani, M Bonomo, A Damin, L Bencivenni, S Passerini, ... Journal of Molecular Liquids 367, 120443, 2022 | 13 | 2022 |
IRMPD spectroscopy and quantum chemistry calculations on mono-and bi-metallic complexes of acetylacetonate ligands with aluminum, iron, and ruthenium ions N Nieuwjaer, A Beydoun, F Lecomte, B Manil, F Cappelluti, L Guidoni, ... The Journal of Chemical Physics 153 (23), 2020 | 6 | 2020 |
Spin-symmetrised structures and vibrational frequencies of iron–sulfur clusters F Cappelluti, L Bencivenni, L Guidoni Physical Chemistry Chemical Physics 22 (29), 16655-16664, 2020 | 6 | 2020 |
Medium range interactions evidences in compounds with aliphatic lateral chain: 1-pentanoic acid, 1-pentanol and pentylammonium nitrate as test cases M Campetella, F Cappelluti, L Gontrani Chemical Physics Letters 734, 136738, 2019 | 4 | 2019 |
New insights into chloromethyl-oxirane and chloromethyl-thiirane in liquid and solid phase from low-temperature infrared spectroscopy and ab initio modeling O Palumbo, A Paolone, M Campetella, F Ramondo, F Cappelluti, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 247, 119061, 2021 | 2 | 2021 |
Nanoscale Surface-Enhanced Raman Spectroscopy Investigation of a Polyphenol-Based Plasmonic Nanovector G Nisini, A Scroccarello, F Ripanti, C Fasolato, F Cappelluti, A Capocefalo, ... Nanomaterials 13 (3), 377, 2023 | 1 | 2023 |
Physical-chemical studies on putrescine (butane-1, 4-diamine) and its solutions: Experimental and computational investigations M Campetella, F Cappelluti, C Fasolato, D Conte, O Palumbo, A Paolone, ... Journal of Molecular Liquids 322, 114568, 2021 | 1 | 2021 |
IRMPD Spectroscopy and Quantum Chemistry Calculations on Metal-Ligand Cluster Ions N Nieuwjaer, A Beydoun, F Lecomte, B Manil, F Cappelluti, L Guidoni, ... | 1 | |
Voronoi Tessellation as a Tool for Predicting the Formation of Deep Eutectic Solvents F Cappelluti, L Gontrani, A Mariani, S Galliano, M Carbone, M Bonomo Journal of Chemical Information and Modeling, 2024 | | 2024 |
Sviluppo di metodi per la dinamica molecolare polarizzabile ed il calcolo di struttura elettronica F Cappelluti Università degli Studi dell'Aquila, 2021 | | 2021 |