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

Polarizable Continuum Model (PCM) in G09 (Part II)

October 24, 2011 — 25 Comments

Computational Chemistry, Gaussian, NBO, White papers

Natural Bond Orbitals Deletion analysis (NBODel) in Gaussian03 & Gaussian09

June 21, 2011 — 15 Comments