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Theoretical and Computational Chemistry

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Jonathan I. Aguirre-Santiago

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Theoretical and Computational Chemistry

Benchmarking computational methods to calculate the octanol/water partition coefficients of a diverse set of organic molecules

Alondra López-Colón, Mariela E. Santiago-Mercado, Jonathan I. Aguirre-Santiago, Ariana de Jesús-Hernández, Jenlyan Negrón-Hernández, Luis M. Negrón, Dalvin D. Méndez-Hernández

Version 1 posted 19 October 2021

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