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Physical Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Tae Hoon Choi

2 results in Authors: Tae Hoon Choi

Physical Chemistry

Computational Predictions of Metal-Macrocycle Stability Constants Require Accurate Treatments of Local Solvent and pH Effects

Brian Gentry, Tae Hoon Choi, William Belfield, John Keith

Version 1 posted 10 February 2021

295

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Theoretical and Computational Chemistry

Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms

alex maldonado, Satoshi Hagiwara, Tae Hoon Choi, Frank Eckert, Kathleen Schwarz, Ravishankar Sundararaman, Minoru Otani, John Keith

Version 1 posted 05 October 2020

757

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