Robert J. O’Reilly

Assessment of Theoretical Procedures for Calculating Barrier Heights for a Diverse Set of Water-Catalyzed Proton-Transfer Reactions

Amir Karton, Robert J. O’Reilly, Leo Radom · The Journal of Physical Chemistry A · 2012 · 122 citations · Full text

Natural Sciences, Chemistry, Catalysis +12

Model for the Exceptional Reactivity of Peroxiredoxins 2 and 3 with Hydrogen Peroxide

Péter Nagy, Amir Karton, Andrea Betz et al. · Journal of Biological Chemistry · 2011 · 113 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +17

Reaction barrier heights for cycloreversion of heterocyclic rings: An Achilles’ heel for DFT and standard ab initio procedures

Li‐Juan Yu, Farzaneh Sarrami, Robert J. O’Reilly et al. · Chemical Physics · 2015 · 85 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +13

Determination of Barrier Heights for Proton Exchange in Small Water, Ammonia, and Hydrogen Fluoride Clusters with G4(MP2)-Type, MP<i>n</i>, and SCS-MP<i>n</i> Procedures—A Caveat

Amir Karton, Robert J. O’Reilly, Bun Chan et al. · Journal of Chemical Theory and Computation · 2012 · 81 citations · Full text

Natural Sciences, Chemistry, Physics +9

Hydrogen Abstraction by Chlorine Atom from Amino Acids: Remarkable Influence of Polar Effects on Regioselectivity

Robert J. O’Reilly, Bun Chan, Mark Taylor et al. · Journal of the American Chemical Society · 2011 · 56 citations

Natural Sciences, Biochemistry, Chemistry +17