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Dr. Joaquin Barroso's Blog

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

Tag: pKa prediction

2 Posts

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 — 6 Comments

Mexican Phys.Chem. Meeting XVth edition

calixarenes, Computational Chemistry, Photosysnthesis, Proteins, RMFQT, Talks, Theoretical Chemistry

Mexican Phys.Chem. Meeting XVth edition

November 21, 2016 — 0 Comments

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