1. The Molecular Modeling and Characterization of Acetaminophen Using Spartan 5.0 Computational Software Open Access Author: Jardine, Kayla Michelle Title: The Molecular Modeling and Characterization of Acetaminophen Using Spartan 5.0 Computational Software Area of Honors: Biology Keywords: chemistrycomputational chemistrymolecular modelingacetaminophenSpartan File: Download Jardine_Kayla_FinalThesis.pdf Thesis Supervisors: Lorena Tribe, Thesis SupervisorDr. Sandy Feinstein, Thesis Honors Advisor
2. PARTIAL CHARGE CORRELATION FUNCTION DEFINITION OF THEORETICAL BOND ORDER, AND ITS COMPUTATION FROM EFFECTIVE MINIMAL BASIS SETS Open Access Author: Bintrim, Sylvia Title: PARTIAL CHARGE CORRELATION FUNCTION DEFINITION OF THEORETICAL BOND ORDER, AND ITS COMPUTATION FROM EFFECTIVE MINIMAL BASIS SETS Area of Honors: Chemistry Keywords: covalent bondcomputational chemistrybond orderquantum chemistry File: Download final_Bintrim_thesis.pdf Thesis Supervisors: Gerald Knizia, Thesis SupervisorPrzemyslaw Maslak, Thesis Honors Advisor
3. AMMONIA ELECTRO-OXIDATION MECHANSIM ON THE PLATINUM (100) SURFACE Open Access Author: Wallace, Spencer Title: AMMONIA ELECTRO-OXIDATION MECHANSIM ON THE PLATINUM (100) SURFACE Area of Honors: Chemical Engineering Keywords: Catalysiselectrochemistryammonia oxidationplatinumDFTcomputational chemistryVASP File: Download Spencer_Wallace_Final_Thesis.pdf Thesis Supervisors: Dr. Michael John Janik, Thesis SupervisorDr. Michael John Janik, Thesis Honors AdvisorXueyi Zhang, Faculty Reader
4. First Principles Kinetic Modeling and Reactor Simulations for the Efficient Utilization of Stranded Methane Resources Open Access Author: Rys, Ethan Title: First Principles Kinetic Modeling and Reactor Simulations for the Efficient Utilization of Stranded Methane Resources Area of Honors: Chemical Engineering Keywords: platinumDFTcomputational chemistryVASPnon-oxidative methane couplingcatalysis File: Download Rys_Thesis.pdf Thesis Supervisors: Konstantinos Alexopoulos, Thesis SupervisorThemis Matsoukas, Thesis Honors Advisor