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The Journal of Chemical Physics
|
July 1, 2019
Semiclassical vibrational spectroscopy with Hessian databases
Riccardo Conte, Fabio Gabas, Giacomo Botti, et al.
The Journal of Chemical Physics
|
December 2, 2020
Machine learning for vibrational spectroscopy via divide-and-conquer semiclassical initial value representation molecular dynamics with application to N-methylacetamide
Michele Gandolfi, Alessandro Rognoni, Chiara Aieta, et al.
The Journal of Chemical Physics
|
June 25, 2009
Multiple coherent states for first-principles semiclassical initial value representation molecular dynamics
Michele Ceotto, Sule Atahan, Gian Franco Tantardini, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
August 5, 2022
Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption
Marco Cazzaniga, Marco Micciarelli, Fabio Gabas, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
January 27, 2022
Thermal and Nuclear Quantum Effects at the Antiferroelectric to Paraelectric Phase Transition in KOH and KOD Crystals
Erika Fallacara, Philippe Depondt, Simon Huppert, et al.
The Journal of Chemical Physics
|
December 12, 2019
Improved semiclassical dynamics through adiabatic switching trajectory sampling
Riccardo Conte, Lorenzo Parma, Chiara Aieta, et al.
The Journal of Chemical Physics
|
August 16, 2011
First principles semiclassical calculations of vibrational eigenfunctions
Michele Ceotto, Stéphanie Valleau, Gian Franco Tantardini, et al.
The Journal of Chemical Physics
|
March 16, 2020
Anharmonic calculations of vibrational spectra for molecular adsorbates: A divide-and-conquer semiclassical molecular dynamics approach
Marco Cazzaniga, Marco Micciarelli, Francesco Moriggi, et al.
Journal of Computational Chemistry
|
May 3, 2025
Vibrational Spectroscopy Through Time Averaged Fourier Transform of Autocorrelated Molecular Dynamics Data: Introducing the Free SEMISOFT Web-Platform
Riccardo Conte, Michele Gandolfi, Davide Moscato, et al.
Angewandte Chemie (International Ed. in English)
|
July 30, 2024
The Fate of the Formic Acid Proton on the Anatase TiO<sub>2</sub>(101) Surface
Erika Fallacara, Fabio Finocchi, Marco Cazzaniga, et al.
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of 7
Search research articles
Search
Showing results (51-60 of 70) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
July 1, 2019
Semiclassical vibrational spectroscopy with Hessian databases
Riccardo Conte, Fabio Gabas, Giacomo Botti, et al.
The Journal of Chemical Physics
|
December 2, 2020
Machine learning for vibrational spectroscopy via divide-and-conquer semiclassical initial value representation molecular dynamics with application to N-methylacetamide
Michele Gandolfi, Alessandro Rognoni, Chiara Aieta, et al.
The Journal of Chemical Physics
|
June 25, 2009
Multiple coherent states for first-principles semiclassical initial value representation molecular dynamics
Michele Ceotto, Sule Atahan, Gian Franco Tantardini, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
August 5, 2022
Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption
Marco Cazzaniga, Marco Micciarelli, Fabio Gabas, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
January 27, 2022
Thermal and Nuclear Quantum Effects at the Antiferroelectric to Paraelectric Phase Transition in KOH and KOD Crystals
Erika Fallacara, Philippe Depondt, Simon Huppert, et al.
The Journal of Chemical Physics
|
December 12, 2019
Improved semiclassical dynamics through adiabatic switching trajectory sampling
Riccardo Conte, Lorenzo Parma, Chiara Aieta, et al.
The Journal of Chemical Physics
|
August 16, 2011
First principles semiclassical calculations of vibrational eigenfunctions
Michele Ceotto, Stéphanie Valleau, Gian Franco Tantardini, et al.
The Journal of Chemical Physics
|
March 16, 2020
Anharmonic calculations of vibrational spectra for molecular adsorbates: A divide-and-conquer semiclassical molecular dynamics approach
Marco Cazzaniga, Marco Micciarelli, Francesco Moriggi, et al.
Journal of Computational Chemistry
|
May 3, 2025
Vibrational Spectroscopy Through Time Averaged Fourier Transform of Autocorrelated Molecular Dynamics Data: Introducing the Free SEMISOFT Web-Platform
Riccardo Conte, Michele Gandolfi, Davide Moscato, et al.
Angewandte Chemie (International Ed. in English)
|
July 30, 2024
The Fate of the Formic Acid Proton on the Anatase TiO<sub>2</sub>(101) Surface
Erika Fallacara, Fabio Finocchi, Marco Cazzaniga, et al.
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of 7