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Carrie C Doyle
Carrie C Doyle
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The importance of the water molecular quadrupole for estimating interfacial potential shifts acting on ions near the liquid–vapor interface
CC Doyle, Y Shi, TL Beck
The Journal of Physical Chemistry B 123 (15), 3348-3358, 2019
372019
Condensed Phase Water Molecular Multipole Moments from Deep Neural Network Models Trained on Ab Initio Simulation Data
Y Shi, CC Doyle, TL Beck
The Journal of Physical Chemistry Letters 12 (42), 10310-10317, 2021
132021
Water Dipole and Quadrupole Moment Contributions to the Ion Hydration Free Energy by the Deep Neural Network Trained with Ab Initio Molecular Dynamics Data
Y Shi, CC Doyle, TL Beck
2020
Interfacial Potentials in Ion Solvation
CC Doyle
University of Cincinnati, 2020
2020
Water Dipole and Quadrupole
CC Doyle, TL Beck
2020
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Artikelen 1–5