Suchergebnisse - "Huppert, Simon"

PubPharm (19)

1

When Quantum Fluctuations Meet Structural Instabilities : The Isotope- and Pressure-Induced Phase Transition in the Quantum Paraelectric NaOH

enthalten in: Physical review letters | 2023

von Schaack, S. | Mangaud, E. | Fallacara, E. | +3

2

Environmental and Nuclear Quantum Effects on Double Proton Transfer in the Guanine-Cytosine Base Pair

enthalten in: The journal of physical chemistry letters | 2023

von Angiolari, F. | Huppert, S. | Pietrucci, F. | +1

3

Environmental and Nuclear Quantum Effects on Double Proton Transfer in Guanine-Cytosine Base Pair

enthalten in: chemRxiv.org | 2023

von Angiolari, F. | Huppert, S. | Pietrucci, F. | +1

4

Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects : From Force Fields to Machine Learning Potentials

enthalten in: Journal of chemical theory and computation | 2023

von Plé, T. | Mauger, N. | Adjoua, O. | +4

5

Environmental and Nuclear Quantum Effects on Double Proton Transfer in Guanine-Cytosine Base Pair

enthalten in: chemRxiv.org | 2023

von Angiolari, F. | Huppert, S. | Pietrucci, F. | +1

6

Quantum versus classical unimolecular fragmentation rate constants and activation energies at finite temperature from direct dynamics simulations

enthalten in: Physical chemistry chemical physics : PCCP | 2022

von Angiolari, F. | Huppert, S. | Spezia, R.

7

Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: from Force Fields to Machine Learning Potentials

enthalten in: arXiv.org | 2022

von Plé, T. | Mauger, N. | Adjoua, O. | +4

8

Improving Condensed-Phase Water Dynamics with Explicit Nuclear Quantum Effects : The Polarizable Q-AMOEBA Force Field

enthalten in: The journal of physical chemistry. B | 2022

von Mauger, N. | Plé, T. | Lagardère, L. | +2

9

Quantum versus Classical Unimolecular Fragmentation Rate Constants and Activation Energies at Finite Temperature from Direct Dynamics Simulations

enthalten in: chemRxiv.org | 2022

von Angiolari, F. | Huppert, S. | Spezia, R.

10

Quantum versus Classical Unimolecular Fragmentation Rate Constants and Activation Energies at Finite Temperature from Direct Dynamics Simulations

enthalten in: chemRxiv.org | 2022

von Angiolari, F. | Huppert, S. | Spezia, R.