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Dr. Joaquin Barroso's Blog

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

Tag: orbital populaion

2 Posts

Orbital Contributions to Excited States

Computational Chemistry, DFT, Fluorescence, FMO, GaussView, NBO, NBO, Photochemistry, Quantum Mechanics, TD-DFT, Theoretical Chemistry, Visualization, White papers

Orbital Contributions to Excited States

August 27, 2020 — 4 Comments

Computational Chemistry, Theoretical Chemistry, White papers

How to calculate Fukui indices

July 26, 2010 — 115 Comments

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