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, Gaussian, White papers

Polarizable Continuum Model (PCM) in G03

September 7, 2009 — 208 Comments

Computational Chemistry, Internet, Science

The Computational Chemistry List

May 14, 2009 — 0 Comments

Computational Chemistry, Science, Talks

MolMod ’09

March 12, 2009 — 0 Comments

Computational Chemistry, Science, Talks

Molmod ’09 at Babes-Bolyai University

March 10, 2009 — 0 Comments