Semiempirical Molecular-Orbital Theory of Molecular Spectra.
When I was at Bell Labs 1966 to 1967 I met Dave Santry who had developed CNDO methods with Pople. I had just come from NRC where I had worked on the electronic spectra of small molecules and radicals and we got together to do some quantum chemistry calculations. David taught me how to write computer programs for which I shall be forever grateful. I think these two papers were really quite groundbreaking and in fact were really due to David’s deep understanding of quantum chemistry in general.