Faculty & Staff
Robert W. Zoellner, Professor
Computational Chemistry; Inorganic and Organometallic Chemistry
- PhD Inorganic/Organometallic Chemistry (1983) Kansas State University
- BS Chemistry magna cum laude (1978) St. Norbert College (Wisconsin)
- Inorganic Chemistry
- Molecular Modeling
- General Chemistry
Summary of Research
Our research interests primarily involve the theoretical and computational modeling of novel, "interesting" compounds using research-quality software packages such as Spartan and Gaussian. For our purpose, "interesting" can be anything from simple aromatic systems, such as pyrrole, to topologically fascinating knots and belts such as trefoil-knotted alkanes and cyclacenes, and to compounds never imagined before, such as our recently-published work on nitratoxycarbons. All of our work is done in silico (on a computer), but the results we report may help other researchers to experimentally synthesize the molecules we investigate.
- Katrina C. Martin, Robert W. Zoellner; "Complete conformational analyses of tetrafluoroethane-1,2-diol, hexafluoropropane-1,3-diol, octafluoro-n-butane-1,4-diol, and decafluoro-n-pentane-1,5-diol"; Journal of Undergraduate Chemistry Research 2012, 11(3), 84-89.
- Rachel M. Feeny, Diane N. Le, Joseph W. Parks, Mark G. Epstein, Joseph V. Pagano, Albert C. Abbene, Elaina B. Graham, Joanna R. Farrell, Jason R. McGuire, Robert W. Zoellner, Edward J. Valente, Eric Barklis, Warren J. L. Wood; “Sultam thioureas: Synthesis and antiviral activity against West Nile virus”; SYNLETT 2012, (2), 301-305.
- Robert W. Zoellner, Clara L. Lazen, Kenneth M. Boehr; "A computational study of novel nitratoxycarbon, nitritocarbonyl, and nitrate compounds and their potential as high energy materials"; Computational and Theoretical Chemistry 2012, 979, 33-37.
- Joan M. Zoellner, Robert W. Zoellner; "Uncharged analogues of the phenalenyl cation: Hartree-Fock, Møller-Plesset, and density functional investigations of the isomers of boraphenalene"; Journal of Molecular Structure - THEOCHEM 2009, 904, 49-56.
- Carey J. Johnson, Robert W. Zoellner; "The smallest borazine-fused cyclacenes: Novel N-H conformations in cyclo-BN-anthracene and cyclo-BN-tetracene from Hartree-Fock and censity functional calculations"; Journal of Molecular Structure - THEOCHEM 2009, 893, 9-16.
- William G. Golden, Erin M. Brown, Sadie E. Solem, Robert W. Zoellner; "Complete conformational analyses of perfluoro-n-pentane, perfluoro-n-hexane, and perfluoro-n-heptane"; Journal of Molecular Structure - THEOCHEM 2008, 867, 20-27.
- Joan M. Zoellner, Robert W. Zoellner; "The isomers of phenalene and their singlet and triplet states: A Hartree-Fock and density functional computational investigation"; Journal of Molecular Structure - THEOCHEM 2008, 863, 50-54.
- Wilton R. Wilson, Marshall R. Ligare, Sara J. Codding, Jason M. Berumen, Robert W. Zoellner; "Substituent effects on the relative electronic energies of pyrrole and the imine tautomers of pyrrole"; Journal of Undergraduate Chemistry Research 2007, 6(3), 119-128.
- Stephanie E. McLaughlin, Hollie D. Sugrue, Robert W. Zoellner; "A computational investigation of cyclic knotted alkanes: cyclo-C27H54 is a stable trefoil knot"; Journal of Undergraduate Chemistry Research 2007, 6(1), 29-33.