Filtering by: Committee Fang Liu, Emory University Remove constraint Committee: Fang Liu, Emory University Committee Matthew Weinschenk, Emory University Remove constraint Committee: Matthew Weinschenk, Emory University Department / Specialty Chemistry Remove constraint Department / Specialty: Chemistry Keyword 6-31G** Remove constraint Keyword: 6-31G** Keyword DFT Remove constraint Keyword: DFT Keyword simulation Remove constraint Keyword: simulation