| Semi-experimental equilibrium structure determinations by employing B3LYP/SNSD anharmonic force fields: Validation and application to semirigid organic molecules M Piccardo, E Penocchio, C Puzzarini, M Biczysko, V Barone The Journal of Physical Chemistry A 119 (10), 2058-2082, 2015 | 152 | 2015 |
| Semiexperimental equilibrium structures for building blocks of organic and biological molecules: The B2PLYP route E Penocchio, M Piccardo, V Barone Journal of Chemical Theory and Computation 11 (10), 4689-4707, 2015 | 89 | 2015 |
| CC/DFT route toward accurate structures and spectroscopic features for observed and elusive conformers of flexible molecules: pyruvic acid as a case study V Barone, M Biczysko, J Bloino, P Cimino, E Penocchio, C Puzzarini Journal of chemical theory and computation 11 (9), 4342-4363, 2015 | 75 | 2015 |
| Thermodynamic efficiency in dissipative chemistry E Penocchio, R Rao, M Esposito Nature communications 10 (1), 3865, 2019 | 51 | 2019 |
| Molecular structure and spectroscopic signatures of acrolein: theory meets experiment C Puzzarini, E Penocchio, M Biczysko, V Barone The Journal of Physical Chemistry A 118 (33), 6648-6656, 2014 | 46 | 2014 |
| Development and implementation of advanced fitting methods for the calculation of accurate molecular structures M Mendolicchio, E Penocchio, D Licari, N Tasinato, V Barone Journal of Chemical Theory and Computation 13 (6), 3060-3075, 2017 | 45 | 2017 |
| Insights from an information thermodynamics analysis of a synthetic molecular motor S Amano, M Esposito, E Kreidt, DA Leigh, E Penocchio, BMW Roberts Nature Chemistry 14 (5), 530-537, 2022 | 42 | 2022 |
| Structural features of the carbon–sulfur chemical bond: a semi-experimental perspective E Penocchio, M Mendolicchio, N Tasinato, V Barone Canadian journal of chemistry 94 (12), 1065-1076, 2016 | 42 | 2016 |
| Kinetic and energetic insights into the dissipative non-equilibrium operation of an autonomous light-powered supramolecular pump S Corrą, M Tranfić Bakić, J Groppi, S Silvi, E Penocchio, M Esposito, ... Nature Nanotechnology 17, 746–751, 2022 | 29 | 2022 |
| Nonequilibrium thermodynamics of non-ideal chemical reaction networks F Avanzini, E Penocchio, G Falasco, M Esposito The Journal of Chemical Physics 154 (9), 2021 | 28 | 2021 |
| Individual‐molecule perspective analysis of chemical reaction networks: the case of a light‐driven supramolecular pump A Sabatino, E Penocchio, G Ragazzon, A Credi, D Frezzato Angewandte Chemie 131 (40), 14479-14486, 2019 | 27 | 2019 |
| Negative differential response in chemical reactions G Falasco, T Cossetto, E Penocchio, M Esposito New Journal of Physics 21 (7), 073005, 2019 | 27 | 2019 |
| Information thermodynamics for deterministic chemical reaction networks E Penocchio, F Avanzini, M Esposito Journal of Chemical Physics 157, 034110, 2022 | 16 | 2022 |
| Nonequilibrium thermodynamics of light-induced reactions E Penocchio, R Riccardo, M Esposito The Journal of Chemical Physics 155 (11), 114101, 2021 | 16 | 2021 |
| Using catalysis to drive chemistry away from equilibrium: Relating kinetic asymmetry, power strokes, and the curtin–hammett principle in brownian ratchets S Amano, M Esposito, E Kreidt, DA Leigh, E Penocchio, BMW Roberts Journal of the American Chemical Society 144 (44), 20153-20164, 2022 | 13 | 2022 |
| Kinetic barrier diagrams to visualize and engineer molecular nonequilibrium systems E Penocchio, G Ragazzon Small 19 (14), 2206188, 2023 | 7* | 2023 |
| Sample size dependence of tagged molecule dynamics in steady-state networks with bimolecular reactions: Cycle times of a light-driven pump D Asnicar, E Penocchio, D Frezzato The Journal of Chemical Physics 156 (18), 2022 | 3 | 2022 |
| Correction to Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules M Piccardo, E Penocchio, C Puzzarini, M Biczysko, V Barone The Journal of Physical Chemistry A 120 (20), 3754-3754, 2016 | 3 | 2016 |
| Negative differential response of chemical reaction currents G Falasco, T Cossetto, E Penocchio, M Esposito APS March Meeting Abstracts 2019, P57. 013, 2019 | 2 | 2019 |
| Correction to Semiexperimental Equilibrium Structures for Building Blocks of Organic and Biological Molecules: The B2PLYP Route E Penocchio, M Piccardo, V Barone Journal of Chemical Theory and Computation 12 (6), 3001-3001, 2016 | 2 | 2016 |
Massimiliano EspositoUniversity of LuxembourgVerified email at uni.lu
