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solvation enthalpy

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3 results in Keywords: solvation enthalpy

Chemical Engineering and Industrial Chemistry

Predicting Solubility Limits of Organic Solutes for a Wide Range of Solvents and Temperatures

Florence Vermeire, Yunsie Chung, William Green

Version 2 posted 08 June 2022

1,085

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Physical Chemistry

Solvation enthalpy determination for aqueous-phase reaction adsorbates from first principles ab initio molecular dynamics

Hee-Joon Chun, Ankita Morankar, Zhenhua Zeng, Jeffrey Greeley

Version 1 posted 17 May 2023

405

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1

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Theoretical and Computational Chemistry

Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy

Yunsie Chung, Florence H. Vermeire, Haoyang Wu, Pierre J. Walker, Michael H. Abraham, William H. Green

Version 2 posted 04 January 2022

1,081

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