Filtragem por: Committee Fang Liu, Emory University Remover Committee: Fang Liu, Emory University Committee Matthew Weinschenk, Emory University Remover Committee: Matthew Weinschenk, Emory University Committee Tracy McGill, Emory University Remover Committee: Tracy McGill, Emory University Keyword 6-31G** Remover Keyword: 6-31G** Keyword DFT Remover Keyword: DFT Keyword simulation Remover Keyword: simulation School Emory College Remover School: Emory College