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The Journal of Physical Chemistry. A|August 3, 2023
Accurate Structures and Spectroscopic Parameters of Guanine Tautomers in the Gas Phase by the Pisa Conventional and Explicitly Correlated Composite Schemes (PCS and PCS-F12)Vincenzo Barone, Silvia Di Grande, Federico Lazzari, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|March 11, 2026
Rotational spectroscopy meets composite Pisa schemes: Structural determination of the atmospheric pollutants 1- and 2-nitronaphthaleneShefali Baweja, Marco Mendolicchio, Vincenzo Barone, et al.
Journal of Chemical Theory and Computation|June 18, 2026
From Localized to Delocalized OH···O Hydrogen Bonds: Benchmark of Hierarchical Quantum Chemical Methods against Rotational SpectroscopyLina Uribe, Luigi Crisci, Federico Lazzari, et al.
Journal of Chemical Theory and Computation|April 25, 2017
Development and Implementation of Advanced Fitting Methods for the Calculation of Accurate Molecular StructuresMarco Mendolicchio, Emanuele Penocchio, Daniele Licari, et al.
The Journal of Physical Chemistry. A|April 1, 2026
Accurate yet Affordable Molecular Structures: Rotational and Vibrational Spectroscopic Parameters of Substituted Aromatic NitrilesLina Uribe, Luigi Crisci, Federico Lazzari, et al.
The Journal of Physical Chemistry. A|September 25, 2025
Benchmark Equilibrium Structures of Nucleobase Tautomers Validated Against Experimental Rotational ConstantsLuca Di Fiore, Luigi Crisci, Federico Lazzari, et al.
The Journal of Chemical Physics|March 20, 2025
Molecular structures with spectroscopic accuracy at DFT cost by the templating synthon approach and the PCS141 databaseFederico Lazzari, Silvia Di Grande, Luigi Crisci, et al.
The Journal of Physical Chemistry. A|November 6, 2025
Canonical and Rare Tautomers of Nucleobases and Their Taggants in the Gas Phase: A Benchmark Computational StudyLuigi Crisci, Federico Lazzari, Luca Di Fiore, et al.
The Journal of Physical Chemistry. A|November 26, 2024
Accurate Structure and Spectroscopic Properties of Azulene and Its Derivatives by Means of Pisa Composite Schemes and Vibrational Perturbation Theory to Second OrderLina Uribe, Silvia Di Grande, Marco Mendolicchio, et al.
The Journal of Chemical Physics|July 3, 2024
Accurate structures and rotational constants of bicyclic monoterpenes at DFT cost by means of the bond-corrected Pisa composite scheme (BPCS)Lina Uribe, Federico Lazzari, Silvia Di Grande, et al.
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