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: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003653:Decarboxylation; D007554:Isotopes; D007555:Isoxazoles / Q000378:metabolism; D007700:Kinetics; D008780:Methyltransferases; D008956:Models, Chemical; D015394:Molecular Structure; D009570:Nitriles / Q000378:metabolism; D011485:Protein Binding
chemical_list: D007554:Isotopes; D007555:Isoxazoles; D009570:Nitriles; C008462:methylisonitrile; D008780:Methyltransferases