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The Journal of Physical Chemistry. A|January 6, 2025
Structures and Rotational Constants of Monocyclic Monoterpenes at DFT Cost by Pisa Composite Schemes and Vibrational Perturbation TheoryFederico Lazzari, Lina Uribe, Silvia Di Grande, et al.
The Journal of Physical Chemistry. A|March 26, 2024
Accurate Structures and Rotational Constants of Steroid Hormones at DFT Cost: Androsterone, Testosterone, Estrone, β-Estradiol, and EstriolLina Uribe, Silvia Di Grande, Luigi Crisci, 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.
The Journal of Chemical Physics|March 20, 2026
Mechanical and electrical anharmonicity in the infrared spectra of graphene fragments: From planar polycyclic aromatic hydrocarbons to buckybowlsVincenzo Barone, Luigi Crisci, Silvia Di Grande, et al.
The Journal of Physical Chemistry. A|July 7, 2026
Mode-Selective Dual-Level Vibrational Perturbation Theory Assisted by Machine Learning for Rotational and Vibrational Spectra of Benzoic Acid and AspirinVincenzo Barone, Joel Bowman, Luigi Crisci, et al.
Physical Chemistry Chemical Physics : PCCP|July 24, 2025
Computational efficiency meets spectroscopic accuracy: an unsupervised workflow for equilibrium geometries and vibrational effects in gas-phase prebiotic moleculesMarco Mendolicchio, Lina Uribe, Federico Lazzari, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|November 26, 2025
Unraveling molecular flexibility in prebiotic chemistry: Tiopronin under the lens of rotational spectroscopy and quantum chemistryLina Uribe, Sergio Mato, Luigi Crisci, et al.
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