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List of works by Antoine Carof

Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cations.

scientific article

Confronting surface hopping molecular dynamics with Marcus theory for a molecular donor-acceptor system.

scientific article published on 3 October 2016

Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping

scientific article published in December 2017

How to calculate charge mobility in molecular materials from surface hopping non-adiabatic molecular dynamics - beyond the hopping/band paradigm

scientific article published on 01 December 2019

On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water.

scientific article

Quantum localization and delocalization of charge carriers in organic semiconducting crystals

scientific article published on 26 August 2019

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