Molecular Mechanisms of Phosphoester Bond Formation in Water Using Tight-Binding Ab Initio Molecular Dynamics

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Authors: Zakarya Benayad, Matthias Bova Saint-André, Guillaume Stirnemann

Journal title: The Journal of Physical Chemistry B

Journal number: 126

Journal publisher: American Chemical Society

Published year: 2023

Published pages: 8251-8265

DOI identifier: 10.1021/acs.jpcb.2c04259

ISSN: 1520-6106