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

Computational Chemistry, Internet

The Chemical blogspace (Cb) has ranked this blog!

July 28, 2010 — 6 Comments

Computational Chemistry, Theoretical Chemistry, White papers

How to calculate Fukui indices

July 26, 2010 — 115 Comments

Computational Chemistry, Gaussian, Models, White papers

Multiconfigurational methods (CI, CC, CASSCF, CASPT2)

June 23, 2010 — 28 Comments

Computational Chemistry, Gaussian, White papers

Rigid and Relaxed Potential Energy Surface Scans (PES Scan) in Gaussian 03 and Gaussian 09

April 19, 2010 — 284 Comments

Computational Chemistry, Mathematics, Models, Theoretical Chemistry

Basis sets

January 28, 2010 — 3 Comments

Computational Chemistry, Gaussian, NBO, White papers

Analyzing Natural Bond Orbitals (NBO) results from Gaussian ’03 & ’09

November 11, 2009 — 94 Comments

Computational Chemistry, Gaussian, NBO, White papers

Natural Bond Orbitals (NBO) visualization

September 24, 2009 — 154 Comments

Computational Chemistry, Talks

Emergency talk. Calixarenes as guest molecules

September 14, 2009 — 3 Comments