Dr. Randall Research
Dr. Randall's research involves data-anchored quantum chemistry calculations on biologically interesting molecules and metal centers. Research utilizes state-of-the art computer programs running on the department's computational chemistry Linux cluster.
[Mn(H2O)6]2+ whose geometry was optimized with B3LYP density functional theory using the ORCA program. The theoretically predicted Mn-H distance agrees with experimentally measured values previously collected by Dr. Randall.