History of science, Literature, Mathematics, Models, Quantum Mechanics, Scandal, Theoretical Chemistry

No, seriously, why can’t orbitals be observed?

July 26, 2017 — 5 Comments

Alumni, Computational Chemistry, Photochemistry, Photosysnthesis, Quantum Mechanics, Science, Spectroscopy, TD-DFT, Teaching, Theoretical Chemistry, Thesis

Maru Sandoval M.Sc. – Our First Graduate Thesis

April 27, 2016 — 4 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

Computational Chemistry, Gaussian, Models, Quantum Mechanics, Science, Theoretical Chemistry, White papers

Polarizability and Hyperpolarizability in Gaussian

July 27, 2012 — 35 Comments

Causality, History of science, Mathematics, Models, Nobel Prize, Proteins, Quantum Mechanics, Science, Theoretical Chemistry

Pauling hybridization model

June 1, 2009 — 2 Comments