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The Journal of Physical Chemistry Letters|December 8, 2025
From Energies to Geometries: Development and Validation of a Robust yet Accurate Tool for Explicitly Correlated Structural Optimizations at an Affordable CostLuigi Crisci, Mihály Kállay, Vincenzo Barone
The Journal of Physical Chemistry. A|April 3, 2026
Pisa Composite Schemes Meet Master Equation Modeling for Accurate Pressure-Dependent Kinetics: HCI Elimination from 2-ChloropropeneLuigi Crisci, Federico Lazzari, Vincenzo Barone
Journal of Chemical Theory and Computation|September 29, 2023
Accurate Thermochemical and Kinetic Parameters at Affordable Cost by Means of the Pisa Composite Scheme (PCS)Vincenzo Barone, Luigi Crisci, Silvia Di Grande
Journal of Chemical Theory and Computation|November 1, 2024
Reduced Cost Computation and Exploitation of Accurate Radial Interaction Potentials for Barrier-Less ProcessesLuigi Crisci, Bernardo Ballotta, Marco Mendolicchio, et al.
The Journal of Physical Chemistry Letters|May 14, 2026
A General Accuracy Ladder for Molecular Structures: From Bonds to Interaction-Driven, Transferable Building BlocksLuigi Crisci, Lina Uribe, Federico Lazzari, et al.
Journal of Computational Chemistry|September 14, 2023
Tuning ultrafast time-evolution of photo-induced charge-transfer states: A real-time electronic dynamics study in substituted indenotetracene derivativesLuigi Crisci, Federico Coppola, Alessio Petrone, et al.
Journal of Chemical Theory and Computation|October 16, 2025
Cost-Effective Accuracy in Molecular Structures via Smart Databases, Topological Features, and Random ForestsFederico Lazzari, Luigi Crisci, Silvia Di Grande, et al.
The Journal of Chemical Physics|January 23, 2026
Chlorine-sulfur oxides in the Venusian atmosphere: Benchmark data from computational spectroscopyLuigi Crisci, Tarek Trabelsi, Joseph S Francisco, et al.
The Journal of Chemical Physics|May 8, 2026
A missing oxidation node in chlorine-sulfur chemical networks: Accurate spectroscopic signatures of Cl2S2O isomersLuigi Crisci, Tarek Trabelsi, Joseph S Francisco, et al.
The Journal of Physical Chemistry. A|September 19, 2025
Intramolecular Hydrogen Bonds and Proton Transfer: Quantum-Chemical Benchmarks for Structural and Energetic PropertiesLuca Di Fiore, Luigi Crisci, Federico Lazzari, et al.
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