The Number of Isomeric Hydrocarbons of the Methane Series
Henze and Blair's 1931 JACS paper deriving exact recursive formulas for counting constitutional alkane isomers.
Classic Papers
Foundational papers in computational chemistry. Covers landmark works in molecular dynamics, quantum chemistry, and statistical mechanics.
Adsorption and Diffusion on Surfaces
Lennard-Jones's 1932 foundational paper introducing potential energy surface models to unify physical and chemical …