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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.
Journal of Chemical Theory and Computation
|
October 16, 2025
Cost-Effective Accuracy in Molecular Structures via Smart Databases, Topological Features, and Random Forests
Federico Lazzari, Luigi Crisci, Silvia Di Grande, et al.
Journal of Chemical Theory and Computation
|
September 27, 2022
Integration of Quantum Chemistry, Statistical Mechanics, and Artificial Intelligence for Computational Spectroscopy: The UV-Vis Spectrum of TEMPO Radical in Different Solvents
Emanuele Falbo, Marco Fusè, Federico Lazzari, 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 Spectroscopy
Lina Uribe, Luigi Crisci, Federico Lazzari, et al.
The Journal of Chemical Physics
|
October 2, 2020
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm
Giordano Mancini, Marco Fusè, Federico Lazzari, et al.
The Journal of Physical Chemistry. A
|
April 1, 2026
Accurate yet Affordable Molecular Structures: Rotational and Vibrational Spectroscopic Parameters of Substituted Aromatic Nitriles
Lina 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 Constants
Luca 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 database
Federico 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 Study
Luigi Crisci, Federico Lazzari, Luca Di Fiore, 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 Estriol
Lina Uribe, Silvia Di Grande, Luigi Crisci, et al.
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of 4
Search research articles
Search
Showing results (21-30 of 37) with videos related to
Sort By:
Page
of 4
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.
Journal of Chemical Theory and Computation
|
October 16, 2025
Cost-Effective Accuracy in Molecular Structures via Smart Databases, Topological Features, and Random Forests
Federico Lazzari, Luigi Crisci, Silvia Di Grande, et al.
Journal of Chemical Theory and Computation
|
September 27, 2022
Integration of Quantum Chemistry, Statistical Mechanics, and Artificial Intelligence for Computational Spectroscopy: The UV-Vis Spectrum of TEMPO Radical in Different Solvents
Emanuele Falbo, Marco Fusè, Federico Lazzari, 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 Spectroscopy
Lina Uribe, Luigi Crisci, Federico Lazzari, et al.
The Journal of Chemical Physics
|
October 2, 2020
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm
Giordano Mancini, Marco Fusè, Federico Lazzari, et al.
The Journal of Physical Chemistry. A
|
April 1, 2026
Accurate yet Affordable Molecular Structures: Rotational and Vibrational Spectroscopic Parameters of Substituted Aromatic Nitriles
Lina 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 Constants
Luca 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 database
Federico 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 Study
Luigi Crisci, Federico Lazzari, Luca Di Fiore, 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 Estriol
Lina Uribe, Silvia Di Grande, Luigi Crisci, et al.
Page
of 4