Dr. Russell D. Johnson III

Russell is currently the editor for the NIST Computational Chemistry Comparison and Benchmark Database (CCCBDB), a website of experimental and theoretical (ab initio quantum mechanics) gas-phase thermochemistry, which allows users to compare various theoretical models with experiment. My research involves using the CCCBDB to help put uncertainties on the results of calculated properties and improving calculated results by simple scaling.

Selected Publications

Scaling Factors and Uncertainties for ab Initio Anharmonic Vibrational Frequencies
Uncertainties in Scaling Factors for ab Initio Vibrational Zero-Point Energies

Latest Publications

To Predict Vibrational Spectra, Are Anharmonic Calculations Worthwhile?
Scaling Factors and Uncertainties for ab Initio Anharmonic Vibrational Frequencies
Uncertainties in Scaling Factors for ab Initio Vibrational Zero-Point Energies

More...

Position:

Research Chemist
Chemical Sciences Div.

Employment History:

1986-Present: Research Chemist, NIST

Education:

Ph.D., Physical Chemistry, University of Minnesota, 1985

B.A., Chemistry, Carleton College, Minnesota, 1977

Contact

Phone: 301-975-2513
Email: russell.johnson@nist.gov
Fax: 301-975-2510