| Hierarchical transformation of Hamiltonians with linear and quadratic couplings for nonadiabatic quantum dynamics: Application to the ππ*/nπ* internal conversion in thymine D Picconi, A Lami, F Santoro The Journal of chemical physics 136 (24), 244104, 2012 | 56 | 2012 |
| The Interplay between ππ*/nπ* Excited States in Gas‐Phase Thymine: A Quantum Dynamical Study D Picconi, V Barone, A Lami, F Santoro, R Improta ChemPhysChem 12 (10), 1957-1968, 2011 | 56 | 2011 |
| Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy D Mayer, F Lever, D Picconi, J Metje, S Alisauskas, F Calegari, S Düsterer, ... Nature communications 13 (1), 198, 2022 | 52 | 2022 |
| Quantum-classical effective-modes dynamics of the ππ*→ nπ* decay in 9H-adenine. A quadratic vibronic coupling model D Picconi, FJA Ferrer, R Improta, A Lami, F Santoro Faraday discussions 163, 223-242, 2013 | 50 | 2013 |
| Electronic circular dichroism in exciton-coupled dimers: vibronic spectra from a general all-coordinates quantum-dynamical approach D Padula, D Picconi, A Lami, G Pescitelli, F Santoro The Journal of Physical Chemistry A 117 (16), 3355-3368, 2013 | 28 | 2013 |
| Photodissociation dynamics of the pyridinyl radical: Time-dependent quantum wave-packet calculations J Ehrmaier, D Picconi, TNV Karsili, W Domcke The Journal of Chemical Physics 146 (12), 124304, 2017 | 21 | 2017 |
| Photodissociation dynamics in the first absorption band of pyrrole. I. Molecular Hamiltonian and the Herzberg-Teller absorption spectrum for the A21 (πσ*)← X̃1 A1 (ππ) transition D Picconi, SY Grebenshchikov The Journal of Chemical Physics 148 (10), 2018 | 17 | 2018 |
| Signatures of a conical intersection in photofragment distributions and absorption spectra: Photodissociation in the Hartley band of ozone D Picconi, SY Grebenshchikov The Journal of Chemical Physics 141 (7), 2014 | 17 | 2014 |
| Ultrafast dynamics of 2-thiouracil investigated by time-resolved Auger spectroscopy F Lever, D Mayer, D Picconi, J Metje, S Alisauskas, F Calegari, ... Journal of Physics B: Atomic, Molecular and Optical Physics 54 (1), 014002, 2020 | 16 | 2020 |
| Quantum dynamics and spectroscopy of dihalogens in solid matrices. I. Efficient simulation of the photodynamics of the embedded I2Kr18 cluster using the G-MCTDH method D Picconi, JA Cina, I Burghardt The Journal of Chemical Physics 150 (6), 2019 | 15 | 2019 |
| Open system dynamics using Gaussian-based multiconfigurational time-dependent Hartree wavefunctions: Application to environment-modulated tunneling D Picconi, I Burghardt The Journal of chemical physics 150 (22), 2019 | 14 | 2019 |
| Quantum dynamics and spectroscopy of dihalogens in solid matrices. II. Theoretical aspects and G-MCTDH simulations of time-resolved coherent Raman spectra of Schrödinger cat … D Picconi, JA Cina, I Burghardt The Journal of Chemical Physics 150 (6), 2019 | 14 | 2019 |
| Photodissociation dynamics in the first absorption band of pyrrole. II. Photofragment distributions for the 1A2 (πσ*)← X̃1A1 (ππ) transition D Picconi, SY Grebenshchikov The Journal of Chemical Physics 148 (10), 2018 | 14 | 2018 |
| Nonadiabatic quantum dynamics of the coherent excited state intramolecular proton transfer of 10-hydroxybenzo [h] quinoline D Picconi Photochemical & Photobiological Sciences 20, 1455-1473, 2021 | 12 | 2021 |
| Fano resonances in the photoinduced H-atom elimination dynamics in the πσ* states of pyrrole SY Grebenshchikov, D Picconi Physical Chemistry Chemical Physics 19 (23), 14902-14906, 2017 | 12 | 2017 |
| Time-resolved spectra of I 2 in a krypton crystal by G-MCTDH simulations: nonadiabatic dynamics, dissipation and environment driven decoherence D Picconi, I Burghardt Faraday Discussions 221, 30-58, 2020 | 11 | 2020 |
| Intermediate photofragment distributions as probes of non-adiabatic dynamics at conical intersections: application to the Hartley band of ozone D Picconi, SY Grebenshchikov Physical Chemistry Chemical Physics 17 (43), 28931-28942, 2015 | 10 | 2015 |
| Quantum dynamics of the photoinduced charge separation in a symmetric donor–acceptor–donor triad: The role of vibronic couplings, symmetry and temperature D Picconi The Journal of Chemical Physics 156 (18), 2022 | 9 | 2022 |
| Experimental and theoretical gas-phase absorption spectra of thionated uracils D Mayer, D Picconi, MS Robinson, M Gühr Chemical Physics 558, 111500, 2022 | 7 | 2022 |
| Quantum coherence in complex environments: general discussion AM Alvertis, W Barford, SB Worster, I Burghardt, A Datta, A Dijkstra, T Fay, ... Faraday Discussions 221, 168-201, 2020 | 6 | 2020 |
Fabrizio SantoroCNRVerified email at pi.iccom.cnr.it