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Calibrating the Gap: a User-Friendly Aqueous $$\Text{P}K_A$$ Prediction Protocol for Organic Acids, Alcohols, and Amines

AuthID
P-01B-H8B

Author(s)

Duque-Prata, A

Serpa, C

Caridade, PJSB

Document Type

Article

Year published

2025

Published

in Journal of Computer-Aided Molecular Design, ISSN: 0920-654X

Volume: 40, Issue: 1

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Publication Identifiers

DOI: 10.1007/s10822-025-00708-y

Source Identifiers

ISSN: 0920-654X

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Calibrating the Gap: a User-Friendly Aqueous $$\Text{P}K_A$$ Prediction Protocol for Organic Acids, Alcohols, and Amines

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Calibrating the Gap: a User-Friendly Aqueous $$\Text{P}K_A$$ Prediction Protocol for Organic Acids, Alcohols, and Amines

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