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The Journal of Physical Chemistry Letters
|
September 16, 2025
Accurate, Affordable and Unsupervised: Analytical F12 Gradients Driven by Generalized Internal Coordinates
Luigi Crisci, Federico Lazzari, Vincenzo Barone
Journal of Chemical Theory and Computation
|
October 16, 2025
High-Fidelity Ring Fragments for Molecular Design and Spectroscopy: the PCS-LCB25-Nano-LEGO Framework
Federico Lazzari, Luigi Crisci, Vincenzo Barone
The Journal of Physical Chemistry Letters
|
February 16, 2026
Accurate Equilibrium Structures of Organic Radicals Made Accessible with Local-Correlation-Enhanced Pisa Composite Schemes
Luigi Crisci, Federico Lazzari, Vincenzo Barone
Journal of Chemical Theory and Computation
|
October 7, 2024
Accurate Geometries of Large Molecules at DFT Cost by Semiexperimental and Coupled Cluster Templating Fragments
Silvia Di Grande, Federico Lazzari, Vincenzo Barone
The Journal of Physical Chemistry. A
|
March 17, 2025
Accurate Structures and Spectroscopic Parameters of CN-Substituted Polycyclic Hydrocarbons at DFT Cost
Vincenzo Barone, Federico Lazzari, Silvia Di Grande
The Journal of Physical Chemistry. A
|
June 7, 2023
Toward Spectroscopic Accuracy for the Structures of Large Molecules at DFT Cost: Refinement and Extension of the Nano-LEGO Approach
Vincenzo Barone, Giorgia Ceselin, Federico Lazzari, et al.
The Journal of Physical Chemistry Letters
|
May 14, 2026
A General Accuracy Ladder for Molecular Structures: From Bonds to Interaction-Driven, Transferable Building Blocks
Luigi Crisci, Lina Uribe, Federico Lazzari, et al.
Journal of Chemical Information and Modeling
|
April 10, 2020
Molecular Perception for Visualization and Computation: The Proxima Library
Federico Lazzari, Andrea Salvadori, Giordano Mancini, et al.
Journal of Chemical Theory and Computation
|
February 2, 2023
Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational Spectroscopy
Vincenzo Barone, Marco Fusè, Federico Lazzari, et al.
The Journal of Physical Chemistry. A
|
September 19, 2025
Intramolecular Hydrogen Bonds and Proton Transfer: Quantum-Chemical Benchmarks for Structural and Energetic Properties
Luca Di Fiore, Luigi Crisci, Federico Lazzari, et al.
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Search research articles
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Showing results (11-20 of 37) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry Letters
|
September 16, 2025
Accurate, Affordable and Unsupervised: Analytical F12 Gradients Driven by Generalized Internal Coordinates
Luigi Crisci, Federico Lazzari, Vincenzo Barone
Journal of Chemical Theory and Computation
|
October 16, 2025
High-Fidelity Ring Fragments for Molecular Design and Spectroscopy: the PCS-LCB25-Nano-LEGO Framework
Federico Lazzari, Luigi Crisci, Vincenzo Barone
The Journal of Physical Chemistry Letters
|
February 16, 2026
Accurate Equilibrium Structures of Organic Radicals Made Accessible with Local-Correlation-Enhanced Pisa Composite Schemes
Luigi Crisci, Federico Lazzari, Vincenzo Barone
Journal of Chemical Theory and Computation
|
October 7, 2024
Accurate Geometries of Large Molecules at DFT Cost by Semiexperimental and Coupled Cluster Templating Fragments
Silvia Di Grande, Federico Lazzari, Vincenzo Barone
The Journal of Physical Chemistry. A
|
March 17, 2025
Accurate Structures and Spectroscopic Parameters of CN-Substituted Polycyclic Hydrocarbons at DFT Cost
Vincenzo Barone, Federico Lazzari, Silvia Di Grande
The Journal of Physical Chemistry. A
|
June 7, 2023
Toward Spectroscopic Accuracy for the Structures of Large Molecules at DFT Cost: Refinement and Extension of the Nano-LEGO Approach
Vincenzo Barone, Giorgia Ceselin, Federico Lazzari, et al.
The Journal of Physical Chemistry Letters
|
May 14, 2026
A General Accuracy Ladder for Molecular Structures: From Bonds to Interaction-Driven, Transferable Building Blocks
Luigi Crisci, Lina Uribe, Federico Lazzari, et al.
Journal of Chemical Information and Modeling
|
April 10, 2020
Molecular Perception for Visualization and Computation: The Proxima Library
Federico Lazzari, Andrea Salvadori, Giordano Mancini, et al.
Journal of Chemical Theory and Computation
|
February 2, 2023
Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational Spectroscopy
Vincenzo Barone, Marco Fusè, Federico Lazzari, et al.
The Journal of Physical Chemistry. A
|
September 19, 2025
Intramolecular Hydrogen Bonds and Proton Transfer: Quantum-Chemical Benchmarks for Structural and Energetic Properties
Luca Di Fiore, Luigi Crisci, Federico Lazzari, et al.
Page
of 4