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Dr. Joaquin Barroso's Blog

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

Tag: Natural Bond Orbitals

2 Posts

Natural Transition Orbitals (NTOs) Gaussian

Computational Chemistry, DFT, Fluorescence, Gaussian, Models, NBO, NBO, Spectroscopy, TD-DFT, Tricks, Visualization, White papers

Natural Transition Orbitals (NTOs) Gaussian

April 6, 2020 — 22 Comments

Computational Chemistry, Models, NBO, NBO, Software, Theoretical Chemistry, Visualization, White papers

Natural Bond Orbitals (NBO) Visualization with Chemcraft

March 6, 2013 — 15 Comments

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