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Simon Huppert

Showing results (1-10 of 19) with videos related to

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Physical Chemistry Chemical Physics : PCCP|November 30, 2022
Quantum <i>versus</i> classical unimolecular fragmentation rate constants and activation energies at finite temperature from direct dynamics simulationsFederica Angiolari, Simon Huppert, Riccardo Spezia
Scientific Reports|May 17, 2020
Quantum driven proton diffusion in brucite-like minerals under high pressureSofiane Schaack, Philippe Depondt, Simon Huppert, et al.
The Journal of Physical Chemistry Letters|May 30, 2023
Environmental and Nuclear Quantum Effects on Double Proton Transfer in the Guanine-Cytosine Base PairFederica Angiolari, Simon Huppert, Fabio Pietrucci, et al.
The Journal of Physical Chemistry. A|June 19, 2026
Simulating Steady-State Spectra of Acrolein while Accounting for Nuclear Quantum EffectsMukul Dhiman, Isabelle Navizet, Simon Huppert, 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 CrystalsErika Fallacara, Philippe Depondt, Simon Huppert, et al.
The Journal of Chemical Physics|September 23, 2019
Sampling the thermal Wigner density via a generalized Langevin dynamicsThomas Plé, Simon Huppert, Fabio Finocchi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 26, 2024
Elucidating Heavy-Atom-Tunneling Kinetics in the Cope Rearrangement of SemibullvaleneFederica Angiolari, Giacomo Mandelli, Simon Huppert, 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 samplingThomas Plé, Simon Huppert, Fabio Finocchi, et al.
The Journal of Physical Chemistry Letters|March 3, 2025
Impact and Interplay of Quantum Coherence and Dissipative Dynamics for Isotope Effects in Excited-State Intramolecular Proton TransferBrieuc Le Dé, Simon Huppert, Riccardo Spezia, et al.
Journal of Chemical Theory and Computation|October 10, 2024
Extending Non-Perturbative Simulation Techniques for Open-Quantum Systems to Excited-State Proton Transfer and Ultrafast Non-Adiabatic DynamicsBrieuc Le Dé, Simon Huppert, Riccardo Spezia, et al.
Pageof 2

Showing results (1-10 of 19) with videos related to

Sort By:
Pageof 2
Physical Chemistry Chemical Physics : PCCP|November 30, 2022
Quantum <i>versus</i> classical unimolecular fragmentation rate constants and activation energies at finite temperature from direct dynamics simulationsFederica Angiolari, Simon Huppert, Riccardo Spezia
Scientific Reports|May 17, 2020
Quantum driven proton diffusion in brucite-like minerals under high pressureSofiane Schaack, Philippe Depondt, Simon Huppert, et al.
The Journal of Physical Chemistry Letters|May 30, 2023
Environmental and Nuclear Quantum Effects on Double Proton Transfer in the Guanine-Cytosine Base PairFederica Angiolari, Simon Huppert, Fabio Pietrucci, et al.
The Journal of Physical Chemistry. A|June 19, 2026
Simulating Steady-State Spectra of Acrolein while Accounting for Nuclear Quantum EffectsMukul Dhiman, Isabelle Navizet, Simon Huppert, 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 CrystalsErika Fallacara, Philippe Depondt, Simon Huppert, et al.
The Journal of Chemical Physics|September 23, 2019
Sampling the thermal Wigner density via a generalized Langevin dynamicsThomas Plé, Simon Huppert, Fabio Finocchi, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 26, 2024
Elucidating Heavy-Atom-Tunneling Kinetics in the Cope Rearrangement of SemibullvaleneFederica Angiolari, Giacomo Mandelli, Simon Huppert, 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 samplingThomas Plé, Simon Huppert, Fabio Finocchi, et al.
The Journal of Physical Chemistry Letters|March 3, 2025
Impact and Interplay of Quantum Coherence and Dissipative Dynamics for Isotope Effects in Excited-State Intramolecular Proton TransferBrieuc Le Dé, Simon Huppert, Riccardo Spezia, et al.
Journal of Chemical Theory and Computation|October 10, 2024
Extending Non-Perturbative Simulation Techniques for Open-Quantum Systems to Excited-State Proton Transfer and Ultrafast Non-Adiabatic DynamicsBrieuc Le Dé, Simon Huppert, Riccardo Spezia, et al.
Pageof 2