Tags: GAMESS_

Teaching Materials (1-1 of 1)

  1. Molecular Modeling and Electronic Structure Calculations

    01 May 2017 | Teaching Materials | Contributor(s): George C. Schatz, Baudilio Tejerina, Shelby Hatch, Jennifer Roden

    This is a purely computational project that is concerned with using the nanoHUB tool QC-Lab to create and optimize molecules, and to study their spectroscopic and structural properties. The...

    https://nanohub.org/resources/26454