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Explicit solvation

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5 results in Keywords: Explicit solvation

Theoretical and Computational Chemistry

Linear Correlation Models for the Redox Potential of Organic Molecules in Aqueous Solutions

Jessica C. Ortiz-Rodríguez, Juan A. Santana, Dalvin D Méndez-Hernández

Version 1 posted 21 October 2019

681

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Theoretical and Computational Chemistry

Solvent Molecules Play a Role in an SNAr Reaction

Version 1 posted 28 February 2019

1,252

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Inadequacy of Continuum Solvation for Polar Reactions: Predicting the Mechanism of Carbonyl–Olefin Metathesis

Corinna Schindler, Eugene Kwan, Hannah Vonesh, Corin Wagen, Spencer McMinn, Joshua Thedford

Version 1 posted 03 November 2022

1,324

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1

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Theoretical and Computational Chemistry

Correcting Implicit Solvation at Metal/Water Interfaces Through the Incorporation of Competitive Water Adsorption

Kwanpyung Lee, J. R. Schmidt

Version 3 posted 04 July 2024

317

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Theoretical and Computational Chemistry

Modeling Chemical Processes in Explicit Solvents with Machine Learning Potentials

Hanwen Zhang, Veronika Juraskova, Fernanda Duarte

Version 2 posted 08 July 2024

1,555

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1

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