Parra, Ruben D. - DePaul University - Department of Chemistry

研究领域

Ruben Parra’s research focuses on the on the investigation of inter- and intra-molecular interactions using computational methodologies based on molecular orbital theory and density functional theory. Of primary interest has been the study of non-additive or cooperative effects in hydrogen bonding interactions, and the study conformations of molecules and the binding of metal ions by macromolecules. Most recently, Parra’s research has been devoted to halogen bonding in itself, and its use in molecular docking. Another part of Parra's research program is in the field of the Scholarship of Teaching and Learning. Here, Parra aims at developing a better understanding of how people learn in the natural sciences, and use this understanding to improve his teaching in the classroom

近期论文

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R. D. Parra, “Concerted Halogen Bonding and Orthogonal Metal-Halogen Interactions in Dimers of Lithium Formamidinate and Halogenated Formamidines: An ab Initio Study.” Molecules, 2014, 19(1), 1069-1084. Link B. Beck-Winchatz, R. D. Parra, “Finding Out What They Really Think: Assessing Non-Science Majors’ Views of the Nature of Science” College Teaching; 2013, 61,131-137. Link R. D. Parra, “Dimers and trimers of formamidine and its mono-halogenated analogues HN=CHNHX, (X = H, Cl, Br, or I): A comparative study of resonance-assisted hydrogen and halogen bonds” Computational and Theoretical Chemistry, COMPTC; 2012, 998, 183-192. Link R. D. Parra, K. Streu, “Cooperative Effects in Regular and Bifurcated Intramolecular OH…O=C Interactions: A Computational Study”; Computational and Theoretical Chemistry, COMPTC, 2011, 977, 181-187. Link R. D. Parra, “Folding oligomers of difluorinated thienylfurans: a DFT study”; Phys. Chem. Chem. Phys.; 2010, 12, 523-532. Link