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pka calculation

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2 results in Keywords: pka calculation

Earth, Space, and Environmental Chemistry

pKa predictions for arsonic acid derivatives.

Miroslava Nedyalkova, Diana Heredia, Marco Lattuada, Joaquín Barroso-Flores

Version 4 posted 22 July 2024

301

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Theoretical and Computational Chemistry

Accurate and Transferable Reactive Molecular Dynamics Models from Constrained Density Functional Theory

Chenghan Li, Gregory A. Voth

Version 2 posted 24 August 2021

378

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