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Dr. Joaquin Barroso's Blog

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

Tag: Python3

3 Posts

UVeh-Vis v1.1 is now available

Coding, Computational Chemistry, Excited State, Fluorescence, Fluorescence Quenching, Photochemistry, Photosysnthesis, TD-DFT

UVeh-Vis v1.1 is now available

January 30, 2024 — 0 Comments

Coding, Computational Chemistry, Excited State, Fluorescence, Photochemistry, Spectroscopy, TD-DFT, Theoretical Chemistry

Plotting UV-Vis spectra from QChem 5.0 calculations (UVeh-Vis)

September 7, 2023 — 0 Comments

Artificial Intelligence, Coding, Computational Chemistry, QSAR, Theoretical Chemistry

Calculating chemical descriptors with Mordred

May 8, 2023 — 2 Comments

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