title: Early Experiences with Computational Quantum Chemistry.
abstract: A description is given of the progress in computational quantum chemistry in the early 1960s, the time of the early mainframe computers. In particular, the first calculation of the barrier to internal rotation in ethane and the first molecular application of perturbed self-consistent-field equations are described with the accompanying developments, trials, and tribulations.
authors.affiliation: Department of Chemistry, The Ohio State University , Columbus, Ohio 43210, United States.
authors.forename: Russell M
authors.initials: RM
authors.lastname: Pitzer