Coding, Computational Chemistry, ELOTE, Excited State, Photochemistry, Software, TD-DFT

ELOTE now works with Open-Shell systems

August 5, 2026 — 0 Comments

Computational Chemistry, Gaussian, Models, Theoretical Chemistry, White papers

Percentage of Molecular Orbital Composition – G09,G16

June 22, 2022 — 3 Comments

Chemistry, Models, Science, Software

Elements4D – Exploring Chemistry with Augmented Reality

February 3, 2014 — 2 Comments

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

Natural Bond Orbitals (NBO) Visualization with Chemcraft

March 6, 2013 — 17 Comments

Blogging, Computational Chemistry, Models, Software, Theoretical Chemistry, Tricks, Visualization, White papers

June 13, 2012 — 4 Comments

Computational Chemistry, Software, Visualization

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

January 11, 2012 — 6 Comments

Computational Chemistry, Internet, Software, Talks

Calixarenes design – Prezi

March 2, 2011 — 2 Comments

Computational Chemistry, Gaussian, Software, Tricks

Some software trickery…

August 3, 2010 — 4 Comments