Articles, Computational Chemistry, Paper, TD-DFT, Theoretical Chemistry

New paper in J. Phys. Chem. C

April 19, 2013 — 7 Comments

Articles, Computational Chemistry, Models, Paper, Quantum Mechanics, Research, Theoretical Chemistry

The Local Bond Order, LBO (Barroso et al. 2004)

August 6, 2012 — 1 Comment

Chemistry, Computational Chemistry, NBO, Paper, Research, Science, Theoretical Chemistry

Paper published in Canadian Journal of Chemistry

May 2, 2012 — 2 Comments

Articles, Computational Chemistry, Journals, Paper, Theoretical Chemistry

Paper accepted to Journal of Inclusion Phenomena

April 28, 2012 — 2 Comments

Articles, Computational Chemistry, Journals, Science

Inorganic Chemistry paper

July 17, 2009 — 2 Comments