title: Kinetic isotope effects on thio-substituted biological phosphoryl transfer reactions from density-functional theory.
abstract: Primary and secondary kinetic and equilibrium isotope effects are calculated with density-functional methods for the dianionic methanolysis of the native (unsubstituted) and thio-substituted ethylene phosphates.
authors.affiliation: Department of Chemistry, University of Minnesota, 207 Pleasant St. SE, Minneapolis, MN 55455, USA.
authors.forename: Yun
authors.initials: Y
authors.lastname: Liu
authors.forename: Xabier
authors.initials: X
authors.lastname: Lopez
authors.forename: Darrin M
authors.initials: DM
authors.lastname: York
mesh_terms: D007554:Isotopes / Q000737:chemistry*; D007700:Kinetics; D017553:Phosphorus Compounds / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D007554:Isotopes; D017553:Phosphorus Compounds