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The Journal of Chemical Physics
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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 buckybowls
Vincenzo Barone, Luigi Crisci, Silvia Di Grande, et al.
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 Theory
Federico Lazzari, Lina Uribe, Silvia Di Grande, et al.
The Journal of Physical Chemistry. A
|
September 4, 2023
DFT Meets Wave-Function Methods for Accurate Structures and Rotational Constants of Histidine, Tryptophan, and Proline
Vincenzo Barone, Lina Marcela Uribe Grajales, 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 Aspirin
Vincenzo 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 molecules
Marco Mendolicchio, Lina Uribe, Federico Lazzari, et al.
Journal of Computational Chemistry
|
February 15, 2020
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality
Marta Martino, Andrea Salvadori, Federico Lazzari, et al.
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of 4
Search research articles
Search
Showing results (31-40 of 37) with videos related to
Sort By:
Page
of 4
You have reached the last page of results.
This site can display upto 37 results.
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 buckybowls
Vincenzo Barone, Luigi Crisci, Silvia Di Grande, et al.
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 Theory
Federico Lazzari, Lina Uribe, Silvia Di Grande, et al.
The Journal of Physical Chemistry. A
|
September 4, 2023
DFT Meets Wave-Function Methods for Accurate Structures and Rotational Constants of Histidine, Tryptophan, and Proline
Vincenzo Barone, Lina Marcela Uribe Grajales, 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 Aspirin
Vincenzo 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 molecules
Marco Mendolicchio, Lina Uribe, Federico Lazzari, et al.
Journal of Computational Chemistry
|
February 15, 2020
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality
Marta Martino, Andrea Salvadori, Federico Lazzari, et al.
Page
of 4