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

Computational Chemistry, Gaussian, White papers

Polarizable Continuum Model (PCM) in G03

September 7, 2009 — 208 Comments