Silvia Di Grande
18PUBLICATIONS
13CO-AUTHORS
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Publications (18)
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|Mar 20, 2026
Mechanical and electrical anharmonicity in the infrared spectra of graphene fragments: From planar polycyclic aromatic hydrocarbons to buckybowls.Vincenzo Barone, Luigi Crisci, Silvia Di Grande
|Oct 21, 2025
One Basis Set to Rule Them All: Toward an Affordable Platinum Standard via Natural Orbital Thresholds.Silvia Di Grande, Mihály Kállay, Vincenzo Barone
|Oct 16, 2025
Cost-Effective Accuracy in Molecular Structures via Smart Databases, Topological Features, and Random Forests.Federico Lazzari, Luigi Crisci, Silvia Di Grande
|Mar 20, 2025
Molecular structures with spectroscopic accuracy at DFT cost by the templating synthon approach and the PCS141 database.Federico Lazzari, Silvia Di Grande, Luigi Crisci
|Mar 17, 2025
Accurate Structures and Spectroscopic Parameters of CN-Substituted Polycyclic Hydrocarbons at DFT Cost.Vincenzo Barone, Federico Lazzari, Silvia Di Grande
|Jan 06, 2025
Structures and Rotational Constants of Monocyclic Monoterpenes at DFT Cost by Pisa Composite Schemes and Vibrational Perturbation Theory.Federico Lazzari, Lina Uribe, Silvia Di Grande
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Frequent Collaborators
17 joint publications
Vincenzo Barone
10 joint publications
Federico Lazzari
8 joint publications
Marco Mendolicchio
5 joint publications
Luigi Crisci
2 joint publications
Lina Uribe
1 joint publications
M Kállay
1 joint publications
Ilaria Ciofini
1 joint publications
Carlo Adamo
1 joint publications
Marco Pagliai
1 joint publications
Gianni Cardini
