CRISCI, Luigi
CRISCI, Luigi
Scuola Normale Superiore
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
Benchmark equilibrium structures of Nucleobase Tautomers validated against experimental rotational Constants
2025 Di Fiore, Luca; Crisci, Luigi; Lazzari, Federico; Mendolicchio, Marco; Barone, Vincenzo
Computational efficiency meets spectroscopic accuracy: an unsupervised workflow for equilibrium geometries and vibrational effects in gas-phase prebiotic molecules
2025 Mendolicchio, M.; Uribe, L.; Lazzari, F.; Crisci, L.; Scalmani, G.; Frisch, M. J.; Barone, V.
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.
Exploring the Theoretical Kinetics Frontiers: Charting the Path from Methodology to Application in Barrierless Reaction Characterization
2025 Crisci, Luigi
Molecular structures with spectroscopic accuracy at DFT cost by the templating synthon approach and the PCS141 database
2025 Lazzari, Franco; Di Grande, Silvia; Crisci, Luigi; Mendolicchio, Marco; Barone, Vincenzo.
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
Structures and Rotational Constants of Monocyclic Monoterpenes at DFT Cost by Pisa Composite Schemes and Vibrational Perturbation Theory
2025 Lazzari, Federico; Uribe, Lina; Di Grande, Silvia; Crisci, Luigi; 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