CRISCI, Luigi
CRISCI, Luigi
Classe di Scienze
Accurate structures and rotational constants of bicyclic monoterpenes at DFT cost by means of the bond-corrected Pisa composite scheme (BPCS)
2024 Uribe, Lina; Lazzari, Federico; Di Grande, Silvia; Crisci, Luigi; Mendolicchio, Marco; Barone, Vincenzo
Accurate Structures and Rotational Constants of Steroid Hormones at DFT Cost: Androsterone, Testosterone, Estrone, β-Estradiol, and Estriol
2024 Uribe, Lina; Di Grande, Silvia; Crisci, Luigi; Lazzari, Federico; Mendolicchio, Marco; Barone, Vincenzo
Electronic and Vibrational Manifold of Tetracyanoethylene-Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular Dynamics
2022 Coppola, F.; Cimino, P.; Perrella, F.; Crisci, L.; Petrone, A.; Rega, N.
Reconciling Accuracy and Feasibility for Barrierless Reaction Steps by the PCS/DDCI/MC-PDFT Protocol: Methane and Ethylene Dissociations as Case Studies
2024 Crisci, Luigi; Barone, Vincenzo
Reduced Cost Computation and Exploitation of Accurate Radial Interaction Potentials for Barrier-Less Processes
2024 Crisci, Luigi; Ballotta, Bernardo; Mendolicchio, Marco; Barone, Vincenzo
Toward an accurate black-box tool for the kinetics of gas-phase reactions involving barrier-less elementary steps
2023 Crisci, Luigi; Di Grande, Silvia; Cavallotti, Carlo; Barone, Vincenzo
Tuning ultrafast time-evolution of photo-induced charge-transfer states : a real-time electronic dynamics study in substituted indenotetracene derivatives
2024 Crisci, Luigi; Coppola, Federico; Petrone, Alessio; Rega, Nadia
Ultrafast photo-induced processes in complex environments : the role of accuracy in excited-state energy potentials and initial conditions
2022 Petrone, Alessio; Perrella, Fulvio; Coppola, Federico; Crisci, Luigi; Donati, Greta; Cimino, Paola; Rega, Nadia