1. An Exploration of Potential Energy Surfaces with an Application in N-Heterocyclic Carbenes on Metal Nanoparticles Open Access Author: Santos, Alyssa Title: An Exploration of Potential Energy Surfaces with an Application in N-Heterocyclic Carbenes on Metal Nanoparticles Graduate Program: Chemistry (PHD) Keywords: Potential Energy SurfaceGeometry OptimizationDensity Functional TheoryN-heterocyclic CarbenesMetal NanoparticlesSigma DonationPi BackbondingGraduate Education File: Download Alyssa_Santos_Dissertation.pdf Committee Members: Gerald Knizia, Chair & Dissertation AdvisorLasse Jensen, Major Field MemberSusan Sinnott, Major Field MemberAdri van Duin, Outside Unit & Field MemberPhilip Bevilacqua, Program Head/Chair