Ph.D. in Physical Chemistry, University of Minnesota
B.S. in Chemistry, Moravian College, Bethlehem, PA
Quantum Chemistry and Spectroscopy
Introduction to Computational Chemistry
B.S. Chemistry - Forensic concentration
Research Areas (Current)
Heat of formation of ketene The fact that the relatively simple molecule ketene has several, wildly different
values for its heat of formation in the literature is annoying, and I aim to try to
Triazine and other interesting N3H3 species and derivatives I began my training as a computational chemist as an undergraduate at Moravian College
under the direction of Dr. Carl Salter investigating this fascinating system. Structure
of NH4NO3 hydrates and solutionsAmmonium nitrate is an amazing compound with a wide variety
of uses, from fertilizer to explosives. One of the amazing properties of this compound
is its incredible miscibility with water. In saturated solution at room temperature
there are approximately one water molecule for every ammonium and nitrate ion! I am
applying state-of-the-art electronic structure calculations to study the structure
of these mixtures.
Electron Energy Analysis Professors R. D. Libby and O. C. Salter at Moravian College are developing an interesting new paradigm for teaching organic chemistry. I am performing
quantum chemical calculations to provide a connection between accurate electronic
structure and the qualitative valence bond model used in their Electron Energy Analysis
Moser, A.; Range, K.; York, D. M. "Accurate Proton Affinity and Gas-Phase Basicity
Values for Molecules Important in Biocatalysis", J. Phys. Chem. B 2010, 114, 13911-13921.
Range, K. Forensic Chemistry Laboratory Manual, Lock Haven Univeristy of Pennsylvania: Lock Haven, PA, 2008-2013.
McCracken, J.; Vassiliev, I.; Yang, E.; Range, K.; Barry, B. A. "ESEEM Studies of
Peptide Nitrogen Hyperfine Coupling in Tyrosyl Radicals and Model Peptides", J. Phys.
Chem. B 2007, 111, 6586Ã¢â‚¬â€œ6592.Sibert, R.; Josowicz, M.; Porcelli, F.; Veglia, G.; Range, K.; Barry, B. A. "Proton-Coupled Electron Transfer in a Biomimetic Peptide as a Model of Enzyme Regulatory
Mechanisms",J. Am. Chem. Soc.2007, 129, 4393-4400.
Range, K.; Ayala, I.; York, D.; Barry, B. A. ``Normal modes of redox-active tyrosine:
conformation dependence and comparison to experiment'', J. Phys. Chem. B.2006, 110, 10970-10981.
Giese, T. J.; Gregersen, B. A.; Liu, Y.; Mayaan, E.; Moser, A.; Range, K.; Faza, O.
N.; Lopez, C. S.; de Lera, A. R.; Schaftenaar, G.; Lopez, X.; Lee, T.; Karypis, G;
York, D. ``QCRNA 1.0: A database of Quantum Calculations for RNA catalysis'', J. Mol. Graph. Model2006, 25, 423-433.
Range, K.; Lopez, C. S.; Moser, A.; York, D. ``Multi-level and density functional
electronic structure calculations of proton affinities and gas-phase basicities involved
in biological phosphoryl transfer'', J. Phys. Chem. A2006, 110, 791-797.
Range, K.; Tiaw, J. "Heat of formation of ethenone", 2013, 245th ACS National Meeting, Poster.
Olsen, M.; Range K. "Simulation of functionalized gold nanoparticles", 2013, 245th ACS National Meeting, Poster.
Gee, D.; Range, K. "Hydrogen bonding in substituted benzoates", 2013, 245th ACS National Meeting, Poster.
Range, K. "Molecular Computation and Visualization in Introductory Chemistry Courses".
2012, 46th Annual Meeting of the Middle-Atlantic Association of Liberal Arts Chemistry
Teachers. Invited speaker.
Range, K.; Salter, O. C.; MacKay, J. A. "Vinyl boronate esters as dienophiles", 2010,
239th ACS National Meeting, Poster.
Hiamey, Y.; Overton, B.; Range, K. "FTIR/PCA for identification of microorganisms",
2009, Lock Haven University of Pennsylvania, COS Poster.
Range, K. ``Benchmark calculations of ammonium and nitrate ions in aqueous solution",
Spring 2009 ACS National Meeting, Poster.