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

Computational Chemistry, Gaussian, White papers

Polarizable Continuum Model (PCM) in G03

September 7, 2009 — 208 Comments

Computational Chemistry, Random thoughts

Back to Romania

August 31, 2009 — 0 Comments

Chemistry, Computational Chemistry, Internet, Science, Theoretical Chemistry

Are theoretical/computational chemists real chemists?

July 27, 2009 — 0 Comments

Articles, Computational Chemistry, Journals, Science

Inorganic Chemistry paper

July 17, 2009 — 2 Comments

Computational Chemistry, Random thoughts

Moving out

July 1, 2009 — 0 Comments