title: Theoretical calculations of heavy-atom isotope effects.
abstract: An overview of calculations of isotope effects on biochemical and chemical reactions using quantum chemistry methods is presented. Usefulness of different levels of theoretical scrutiny for such calculations is critically discussed.
authors.affiliation: Technical University of Lódź, Institute of Applied Radiation Chemistry, Poland.
authors.forename: P
authors.initials: P
authors.lastname: Paneth
mesh_terms: D003198:Computer Simulation; D003653:Decarboxylation; D004798:Enzymes / Q000378:metabolism; D006868:Hydrolysis; D066298:In Vitro Techniques; D007554:Isotopes; D007700:Kinetics; D008956:Models, Chemical; D015394:Molecular Structure; D011789:Quantum Theory
chemical_list: D004798:Enzymes; D007554:Isotopes