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Louise J. Criscenti

Sandia National Laboratories

P.O. Box 969

Livermore, CA 94551

United States

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Variations in Proton Transfer Pathways and Energetics on Pristine and Defect-Rich Quartz Surfaces in Water: Insights into the Bimodal Acidities of Quartz

Number of pages: 45 Posted: 04 Feb 2024
Ke Yuan, Nikhil Rampal, Stephan Irle, Louise J. Criscenti, Sang Soo Lee, Sai Adapa and Andrew Stack
Government of the United States of America - Oak Ridge National Laboratory, Government of the United States of America - Oak Ridge National Laboratory, Government of the United States of America - Oak Ridge National Laboratory, Sandia National Laboratories, Government of the United States of America - Argonne National Laboratory, Government of the United States of America - Oak Ridge National Laboratory and Government of the United States of America - Oak Ridge National Laboratory
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Quartz, proton transfer, interface, acidity constant, molecular dynamics, metadynamics