TY - RPRT TI - Structure of Novel Phosphonium-Based Ionic Liquids with S and O Substitutions from Experiments and a Mixed Quantum-Classical Approach AU - Ogbodo, Raphael [University of Iowa, Ames, IA (United States)] (ORCID:0000000333558118) AU - Acharya, Gobin Raj [Rutgers University, Piscataway, NJ (United States)] (ORCID:0000000331268520) AU - Yuen, Ho Martin [Queensborough Community College-CUNY, Bayside, NY (United States)] (ORCID:0000000286977490) AU - Zmich, Nicole [Queensborough Community College-CUNY, Bayside, NY (United States)] AU - Wang, Furong [Brookhaven National Laboratory (BNL), Upton, NY (United States)] AU - Shirota, Hideaki [Chiba University (Japan)] (ORCID:0000000256714649) AU - Lall-Ramnarine, Sharon I. [Queensborough Community College-CUNY, Bayside, NY (United States)] (ORCID:0000000178914548) AU - Wishart, James F. [Brookhaven National Laboratory (BNL), Upton, NY (United States)] (ORCID:0000000204887636) AU - Nieuwkoop, Andrew J. [Rutgers University, Piscataway, NJ (United States)] (ORCID:0000000345571416) AU - Margulis, Claudio J. [University of Iowa, Ames, IA (United States)] (ORCID:0000000316719784) PY - 2025 DO - 10.1021/acs.jpcb.5c00129 UR - https://www.osti.gov/biblio/2539976 ID - 2539976 ER -