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Dr. Joaquin Barroso's Blog

Scientific log of a computational chemist – "Make like a molecule and React!"

Tag: pKa

2 Posts

ACS, AI, Artificial Intelligence, Collaborations, Computational Chemistry, DFT, Inorganic Chemistry, Models, Research, Theoretical Chemistry, Thermodynamics

pka values for Arsonic Acids – New paper in ACS Omega

January 22, 2025 — 0 Comments

Estimation of pKa Values through Local Electrostatic Potential Calculations

Articles, Chemistry, Computational Chemistry, DFT, Paper, Theoretical Chemistry, Thermodynamics

Estimation of pKa Values through Local Electrostatic Potential Calculations

December 27, 2018 — 7 Comments

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