John A. Pople

TL;DR: Medium basis sets based upon contractions of Gaussian primitives are developed for the third‐row elements Ga through Kr, and good agreement with bond lengths and angles for representative vapor‐phase metal complexes is shown.

TL;DR: In this article, a medium basis set based upon contractions of Gaussian primitives was developed for the third-row elements K through Zn. The basis functions generalize the 6-31G and 631G* sets commonly used for atoms up to Ar.

TL;DR: This article contains brief descriptive discussions of the key physical features of all new algorithms and theoretical models, together with sample calculations that illustrate their performance.

TL;DR: The fundamental underpinnings of theoretical chemistry were uncovered in a relatively short period at the beginning of the present century as mentioned in this paper, with the discovery of the nucleus in 1910 completed the identification of the constituent subparticles of atoms and molecules and was followed shortly thereafter by the Bohr treatment of electronic orbits in atoms.

TL;DR: In this paper, the energies of planar vs. tetrahedral geometries of tetracoordinate organic molecules have been surveyed by ab ini- tio molecular orbital calculations and electropositive substituents, especially lithium, are particularly effective in stabilizing the planar arrangements selectively.