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

Gaussian, GaussView, White papers

Efficient use of the clipboard on GaussView

May 20, 2015 — 0 Comments

Computational Chemistry, Gaussian, Tricks, Visualization, White papers

Some .fchk files wont open in GaussView5.0 (Update)

May 19, 2014 — 8 Comments

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

Natural Bond Orbitals (NBO) Visualization with Chemcraft

March 6, 2013 — 15 Comments

Computational Chemistry, Software, Visualization

Download, yes, download Molekel 4.3 (WinXP). Happy New Year!

January 11, 2012 — 6 Comments