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Biological and Medicinal Chemistry

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Sarah Allec

2 results in Authors: Sarah Allec

Physical Chemistry

The Role of Surface Hydroxyls in the Mobility of Carboxylates on Surfaces: Dynamics of Acetate on Anatase TiO2(101)

Runze Ma, Christopher O’Connor, Gregory Collinge, Sarah Allec, Mal-Soon Lee, Zdenek Dohnálek

Version 1 posted 11 January 2023

236

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Physical Chemistry

Heterogeneous CPU+GPU-Enabled Simulations for DFTB Molecular Dynamics of Large Chemical and Biological Systems

Sarah I. Allec, Yijing Sun, Jianan Sun, Chia-En A. Chang, Bryan Wong

Version 1 posted 18 March 2019

496

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