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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
|
September 23, 2019
Sampling the thermal Wigner density via a generalized Langevin dynamics
Thomas Plé, Simon Huppert, Fabio Finocchi, 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 Chemical Physics
|
September 16, 2021
Anharmonic spectral features via trajectory-based quantum dynamics: A perturbative analysis of the interplay between dynamics and sampling
Thomas Plé, Simon Huppert, Fabio Finocchi, et al.
Nanotechnology
|
August 10, 2010
Zinc oxide scaffolds on MgO nanocubes
Slavica Stankic, Andreas Sternig, Fabio Finocchi, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 17, 2025
Clean and hydrated low-index Rb<sub>2</sub>Ti<sub>2</sub>O<sub>5</sub> surfaces
Guillaume Benas, Sofia De Sousa Coutinho, Brigitte Leridon, 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.
Journal of Chemical Theory and Computation
|
April 3, 2019
The Fluctuation-Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations
Etienne Mangaud, Simon Huppert, Thomas Plé, et al.
Journal of Chemical Theory and Computation
|
October 22, 2016
Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations
Fabien Brieuc, Yael Bronstein, Hichem Dammak, et al.
Physical Review Letters
|
October 6, 2023
When Quantum Fluctuations Meet Structural Instabilities: The Isotope- and Pressure-Induced Phase Transition in the Quantum Paraelectric NaOH
Sofiane Schaack, Etienne Mangaud, Erika Fallacara, et al.
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Search research articles
Search
Showing results (11-20 of 24) with videos related to
Sort By:
Page
of 3
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
|
September 23, 2019
Sampling the thermal Wigner density via a generalized Langevin dynamics
Thomas Plé, Simon Huppert, Fabio Finocchi, 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 Chemical Physics
|
September 16, 2021
Anharmonic spectral features via trajectory-based quantum dynamics: A perturbative analysis of the interplay between dynamics and sampling
Thomas Plé, Simon Huppert, Fabio Finocchi, et al.
Nanotechnology
|
August 10, 2010
Zinc oxide scaffolds on MgO nanocubes
Slavica Stankic, Andreas Sternig, Fabio Finocchi, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 17, 2025
Clean and hydrated low-index Rb<sub>2</sub>Ti<sub>2</sub>O<sub>5</sub> surfaces
Guillaume Benas, Sofia De Sousa Coutinho, Brigitte Leridon, 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.
Journal of Chemical Theory and Computation
|
April 3, 2019
The Fluctuation-Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations
Etienne Mangaud, Simon Huppert, Thomas Plé, et al.
Journal of Chemical Theory and Computation
|
October 22, 2016
Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations
Fabien Brieuc, Yael Bronstein, Hichem Dammak, et al.
Physical Review Letters
|
October 6, 2023
When Quantum Fluctuations Meet Structural Instabilities: The Isotope- and Pressure-Induced Phase Transition in the Quantum Paraelectric NaOH
Sofiane Schaack, Etienne Mangaud, Erika Fallacara, et al.
Page
of 3