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The Journal of Chemical Physics
|
November 20, 2025
Quantumness of classical-trajectory-based methods for vibrational spectroscopy
Jia-Xi Zeng, Riccardo Conte, Michele Ceotto
The Journal of Physical Chemistry Letters
|
December 27, 2015
Reproducing Deep Tunneling Splittings, Resonances, and Quantum Frequencies in Vibrational Spectra From a Handful of Direct Ab Initio Semiclassical Trajectories
Riccardo Conte, Alán Aspuru-Guzik, Michele Ceotto
The Journal of Chemical Physics
|
June 17, 2019
Vibrational investigation of nucleobases by means of divide and conquer semiclassical dynamics
Fabio Gabas, Giovanni Di Liberto, Michele Ceotto
The Journal of Chemical Physics
|
March 17, 2018
"Divide-and-conquer" semiclassical molecular dynamics: An application to water clusters
Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
The Journal of Chemical Physics
|
June 3, 2024
A time averaged semiclassical approach to IR spectroscopy
Cecilia Lanzi, Chiara Aieta, Michele Ceotto, et al.
The Journal of Chemical Physics
|
March 17, 2025
Modified vibrational perturbation theory as applied to the collinear H + H2 and D + H2 reactions
Sameernandan Upadhyayula, Chiara Aieta, Michele Ceotto, et al.
The Journal of Physical Chemistry. A
|
July 21, 2023
Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region
Davide Barbiero, Gianluca Bertaina, Michele Ceotto, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
January 20, 2023
Elucidating NO <sub></sub> Surface Chemistry at the Anatase (101) Surface in TiO<sub>2</sub> Nanoparticles
Lorenzo Mino, Marco Cazzaniga, Francesco Moriggi, et al.
Journal of Biomolecular Structure & Dynamics
|
March 1, 2023
Vibrational spectroscopy simulation of solvation effects on a G-quadruplex
Davide Moscato, Fabio Gabas, Riccardo Conte, et al.
The Journal of Chemical Physics
|
May 17, 2019
An effective semiclassical approach to IR spectroscopy
Marco Micciarelli, Fabio Gabas, Riccardo Conte, et al.
Page
of 7
Search research articles
Search
Showing results (31-40 of 70) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
November 20, 2025
Quantumness of classical-trajectory-based methods for vibrational spectroscopy
Jia-Xi Zeng, Riccardo Conte, Michele Ceotto
The Journal of Physical Chemistry Letters
|
December 27, 2015
Reproducing Deep Tunneling Splittings, Resonances, and Quantum Frequencies in Vibrational Spectra From a Handful of Direct Ab Initio Semiclassical Trajectories
Riccardo Conte, Alán Aspuru-Guzik, Michele Ceotto
The Journal of Chemical Physics
|
June 17, 2019
Vibrational investigation of nucleobases by means of divide and conquer semiclassical dynamics
Fabio Gabas, Giovanni Di Liberto, Michele Ceotto
The Journal of Chemical Physics
|
March 17, 2018
"Divide-and-conquer" semiclassical molecular dynamics: An application to water clusters
Giovanni Di Liberto, Riccardo Conte, Michele Ceotto
The Journal of Chemical Physics
|
June 3, 2024
A time averaged semiclassical approach to IR spectroscopy
Cecilia Lanzi, Chiara Aieta, Michele Ceotto, et al.
The Journal of Chemical Physics
|
March 17, 2025
Modified vibrational perturbation theory as applied to the collinear H + H2 and D + H2 reactions
Sameernandan Upadhyayula, Chiara Aieta, Michele Ceotto, et al.
The Journal of Physical Chemistry. A
|
July 21, 2023
Anharmonic Assignment of the Water Octamer Spectrum in the OH Stretch Region
Davide Barbiero, Gianluca Bertaina, Michele Ceotto, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
January 20, 2023
Elucidating NO <sub></sub> Surface Chemistry at the Anatase (101) Surface in TiO<sub>2</sub> Nanoparticles
Lorenzo Mino, Marco Cazzaniga, Francesco Moriggi, et al.
Journal of Biomolecular Structure & Dynamics
|
March 1, 2023
Vibrational spectroscopy simulation of solvation effects on a G-quadruplex
Davide Moscato, Fabio Gabas, Riccardo Conte, et al.
The Journal of Chemical Physics
|
May 17, 2019
An effective semiclassical approach to IR spectroscopy
Marco Micciarelli, Fabio Gabas, Riccardo Conte, et al.
Page
of 7