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The Journal of Physical Chemistry. A
|
November 30, 2023
Hunting for Complex Organic Molecules in the Interstellar Medium: The Role of Accurate Low-Cost Theoretical Geometries and Rotational Constants
Vincenzo Barone, Federico Lazzari
The Journal of Chemical Physics
|
June 9, 2026
WMS-Rot: From quantum-chemical predictions to rotational spectral assignment and refinement
Federico Lazzari, Vincenzo Barone
The Journal of Physical Chemistry. A
|
October 31, 2025
Pushing the Boundaries of Spectroscopic Accuracy: from Small Sheet to Large Bowl Models of Graphene
Luigi Crisci, Federico Lazzari, Vincenzo Barone
Journal of Chemical Theory and Computation
|
February 23, 2026
Accurate and Affordable Vibrational Spectra of Large Molecules: Primary, Auxiliary, and Spectator Modes in a Perturb-then-Diagonalize Framework
Vincenzo Barone, Federico Lazzari, Marco Mendolicchio
The Journal of Physical Chemistry. A
|
February 13, 2024
Accurate Geometries of Large Molecules by Integration of the Pisa Composite Scheme and the Templating Synthon Approach
Federico Lazzari, Marco Mendolicchio, Vincenzo Barone
Accounts of Chemical Research
|
December 26, 2025
The Road to Affordable Accuracy beyond Small Molecules: From Energetics toward Molecular Structures
Vincenzo Barone, Luigi Crisci, Federico Lazzari
Journal of Chemical Theory and Computation
|
July 3, 2025
Accurate Yet Affordable: An Integrated Tool for the Simulation of Criegee Intermediates via Pisa Composite Schemes and Localized Corrections
Luigi Crisci, Federico Lazzari, Vincenzo Barone
The Journal of Physical Chemistry. A
|
April 3, 2026
Pisa Composite Schemes Meet Master Equation Modeling for Accurate Pressure-Dependent Kinetics: HCI Elimination from 2-Chloropropene
Luigi Crisci, Federico Lazzari, Vincenzo Barone
Journal of Chemical Theory and Computation
|
May 4, 2026
From Energies to Structures: PNO-F12 Geometry Optimization of Large Molecules for Near-Spectroscopic Accuracy
Luigi Crisci, Federico Lazzari, Vincenzo Barone
The Journal of Physical Chemistry Letters
|
July 14, 2025
Composite Gradient Schemes for Accurate Molecular Geometries: A Flexible Interface and Hierarchical Optimization Workflow
Luigi Crisci, Federico Lazzari, Vincenzo Barone
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of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. A
|
November 30, 2023
Hunting for Complex Organic Molecules in the Interstellar Medium: The Role of Accurate Low-Cost Theoretical Geometries and Rotational Constants
Vincenzo Barone, Federico Lazzari
The Journal of Chemical Physics
|
June 9, 2026
WMS-Rot: From quantum-chemical predictions to rotational spectral assignment and refinement
Federico Lazzari, Vincenzo Barone
The Journal of Physical Chemistry. A
|
October 31, 2025
Pushing the Boundaries of Spectroscopic Accuracy: from Small Sheet to Large Bowl Models of Graphene
Luigi Crisci, Federico Lazzari, Vincenzo Barone
Journal of Chemical Theory and Computation
|
February 23, 2026
Accurate and Affordable Vibrational Spectra of Large Molecules: Primary, Auxiliary, and Spectator Modes in a Perturb-then-Diagonalize Framework
Vincenzo Barone, Federico Lazzari, Marco Mendolicchio
The Journal of Physical Chemistry. A
|
February 13, 2024
Accurate Geometries of Large Molecules by Integration of the Pisa Composite Scheme and the Templating Synthon Approach
Federico Lazzari, Marco Mendolicchio, Vincenzo Barone
Accounts of Chemical Research
|
December 26, 2025
The Road to Affordable Accuracy beyond Small Molecules: From Energetics toward Molecular Structures
Vincenzo Barone, Luigi Crisci, Federico Lazzari
Journal of Chemical Theory and Computation
|
July 3, 2025
Accurate Yet Affordable: An Integrated Tool for the Simulation of Criegee Intermediates via Pisa Composite Schemes and Localized Corrections
Luigi Crisci, Federico Lazzari, Vincenzo Barone
The Journal of Physical Chemistry. A
|
April 3, 2026
Pisa Composite Schemes Meet Master Equation Modeling for Accurate Pressure-Dependent Kinetics: HCI Elimination from 2-Chloropropene
Luigi Crisci, Federico Lazzari, Vincenzo Barone
Journal of Chemical Theory and Computation
|
May 4, 2026
From Energies to Structures: PNO-F12 Geometry Optimization of Large Molecules for Near-Spectroscopic Accuracy
Luigi Crisci, Federico Lazzari, Vincenzo Barone
The Journal of Physical Chemistry Letters
|
July 14, 2025
Composite Gradient Schemes for Accurate Molecular Geometries: A Flexible Interface and Hierarchical Optimization Workflow
Luigi Crisci, Federico Lazzari, Vincenzo Barone
Page
of 4