Chem 380.37 Lecture Notes 2

Some of the diatomic molcules that ransil calculated

Info iconThis preview shows page 1. Sign up to view the full content.

View Full Document Right Arrow Icon
This is the end of the preview. Sign up to access the rest of the document.

Unformatted text preview: took 1 1/2 years to complete 12 diatomic molecule calculations finished by late 1959 – reasonable agreement achieved (1 ­2 sig figures) with experimental dipole moments, ionization potentials, etc. Some of the Diatomic Molcules that Ransil Calculated H2 LiH HF CO How Computational Chemistry Began • R. S. Mulliken  ­ Nobel Prize 1966 – for work on molecular orbital theory • Mulliken summarized the use of computers in computational chemistry to date: “The operational success of the computer program and the results it generated clearly heralded the dawn of a new era.” Computing in the 1960s Important developments: • Transistors replaced vacuum tubes. • First mass ­produced minicomputer (DEC PDP ­8) released in 1965. • UNIX operating system developed in 1969. DEC PDP ­8 The UNIX Operating System • Developed in 1969 at Bell Labs. • UNIX has been continuously updated from 1969 to present. • UNIX has been dev...
View Full Document

Ask a homework question - tutors are online