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Luigi Crisci

Observed name: Crisci, Luigi
ORCID: 0000-0002-8140-5397
Observed ORCID: 0000-0002-8140-5397
OpenAlex ID: A5003661287
Electronic and Vibrational Manifold of Tetracyanoethylene–Chloronaphthalene Charge Transfer Complex in Solution: Insights from TD-DFT and Ab Initio Molecular Dynamics
2022 · Federico Coppola, Paola Cimino, et al. · The Journal of Physical Chemistry A · 30
The Road to Affordable Accuracy beyond Small Molecules: From Energetics toward Molecular Structures
2025 · Vincenzo Barone, Luigi Crisci, et al. · Accounts of Chemical Research · 26
Accurate Thermochemical and Kinetic Parameters at Affordable Cost by Means of the Pisa Composite Scheme (PCS)
2023 · Vincenzo Barone, Luigi Crisci, et al. · Journal of Chemical Theory and Computation · 25
Composite Gradient Schemes for Accurate Molecular Geometries: A Flexible Interface and Hierarchical Optimization Workflow
2025 · Luigi Crisci, Federico Lazzari, et al. · The Journal of Physical Chemistry Letters · 24
Computational efficiency meets spectroscopic accuracy: an unsupervised workflow for equilibrium geometries and vibrational effects in gas-phase prebiotic molecules
2025 · Marco Mendolicchio, Lina Uribe, et al. · Physical Chemistry Chemical Physics · 24
Ultrafast photo-induced processes in complex environments: The role of accuracy in excited-state energy potentials and initial conditions
2022 · Alessio Petrone, Fulvio Perrella, et al. · Chemical Physics Reviews · 24
Accurate Structures and Rotational Constants of Steroid Hormones at DFT Cost: Androsterone, Testosterone, Estrone, β-Estradiol, and Estriol
2024 · Lina Uribe, Silvia Di Grande, et al. · The Journal of Physical Chemistry A · 22
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Accurate, Affordable and Unsupervised: Analytical F12 Gradients Driven by Generalized Internal Coordinates
2025 · Luigi Crisci, Federico Lazzari, et al. · The Journal of Physical Chemistry Letters · 21
High-Fidelity Ring Fragments for Molecular Design and Spectroscopy: the PCS–LCB25–Nano-LEGO Framework
2025 · Federico Lazzari, Luigi Crisci, et al. · Journal of Chemical Theory and Computation · 20
Molecular structures with spectroscopic accuracy at DFT cost by the templating synthon approach and the PCS141 database
2025 · Federico Lazzari, Silvia Di Grande, et al. · The Journal of Chemical Physics · 19
Accurate Yet Affordable: An Integrated Tool for the Simulation of Criegee Intermediates via Pisa Composite Schemes and Localized Corrections
2025 · Luigi Crisci, Federico Lazzari, et al. · Journal of Chemical Theory and Computation · 14
Reconciling Accuracy and Feasibility for Barrierless Reaction Steps by the PCS/DDCI/MC-PDFT Protocol: Methane and Ethylene Dissociations as Case Studies
2024 · Luigi Crisci, Vincenzo Barone · Journal of Chemical Theory and Computation · 14
Accurate structures and rotational constants of bicyclic monoterpenes at DFT cost by means of the bond-corrected Pisa composite scheme (BPCS)
2024 · Lina Uribe, Federico Lazzari, et al. · The Journal of Chemical Physics · 14
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Cost-Effective Accuracy in Molecular Structures via Smart Databases, Topological Features, and Random Forests
2025 · Federico Lazzari, Luigi Crisci, et al. · Journal of Chemical Theory and Computation · 12
Toward an Accurate Black-Box Tool for the Kinetics of Gas-Phase Reactions Involving Barrier-less Elementary Steps
2023 · Luigi Crisci, Silvia Di Grande, et al. · Journal of Chemical Theory and Computation · 12
Structures and Rotational Constants of Monocyclic Monoterpenes at DFT Cost by Pisa Composite Schemes and Vibrational Perturbation Theory
2025 · Federico Lazzari, Lina Uribe, et al. · The Journal of Physical Chemistry A · 11
Accurate Equilibrium Structures of Organic Radicals Made Accessible with Local-Correlation-Enhanced Pisa Composite Schemes
2026 · Luigi Crisci, Federico Lazzari, et al. · The Journal of Physical Chemistry Letters · 8
From Energies to Geometries: Development and Validation of a Robust yet Accurate Tool for Explicitly Correlated Structural Optimizations at an Affordable Cost
2025 · Luigi Crisci, Mihály Kállay, et al. · The Journal of Physical Chemistry Letters · 8
Intramolecular Hydrogen Bonds and Proton Transfer: Quantum-Chemical Benchmarks for Structural and Energetic Properties
2025 · Luca Di Fiore, Luigi Crisci, et al. · The Journal of Physical Chemistry A · 7
Tuning ultrafast time‐evolution of photo‐induced charge‐transfer states: A real‐time electronic dynamics study in substituted indenotetracene derivatives
2023 · Luigi Crisci, Federico Coppola, et al. · Journal of Computational Chemistry · 6
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Accurate structures and rotational constants of nitroaromatic explosives and their taggants at DFT cost by Pisa composite schemes and vibrational perturbation theory
2025 · Vincenzo Barone, Federico Lazzari, et al. · Chemical Physics Letters · 5
From Energies to Structures: PNO-F12 Geometry Optimization of Large Molecules for Near-Spectroscopic Accuracy
2026 · Luigi Crisci, Federico Lazzari, et al. · Journal of Chemical Theory and Computation · 4
Unraveling molecular flexibility in prebiotic chemistry: Tiopronin under the lens of rotational spectroscopy and quantum chemistry
2025 · Lina Uribe, Sergio Mato, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 4
Benchmark Equilibrium Structures of Nucleobase Tautomers Validated Against Experimental Rotational Constants
2025 · Luca Di Fiore, Luigi Crisci, et al. · The Journal of Physical Chemistry A · 4
Chlorine–sulfur oxides in the Venusian atmosphere: Benchmark data from computational spectroscopy
2026 · Luigi Crisci, Tarek Trabelsi, et al. · The Journal of Chemical Physics · 3
Works count: 58
Citation count: 377
H-index: 13
I10-index: 16
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