Literature DB >> 7551556

Theoretical calculations of heavy-atom isotope effects.

P Paneth1.   

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.

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Year:  1995        PMID： 7551556     DOI： 10.1016/0097-8485(95)93589-s

Source DB:  PubMed          Journal:  Comput Chem        ISSN： 0097-8485


  3 in total

1.  A new scheme to calculate isotope effects.

Authors:  Katarzyna Swiderek; Agnieszka Dybala-Defratyka; Daniel R Rohr
Journal:  J Mol Model       Date:  2010-10-19       Impact factor: 1.810

2.  Isotopic Consequences of Host-Guest Interactions; Noncovalent Chlorine Isotope Effects.

Authors:  Agata Paneth; Piotr Paneth
Journal:  J Phys Chem B       Date:  2021-02-11       Impact factor: 2.991

3.  Unprecedently large 37Cl/35Cl equilibrium isotopic fractionation on nano-confinement of chloride anion.

Authors:  Mateusz Pokora; Agata Paneth; Piotr Paneth
Journal:  Sci Rep       Date:  2022-02-02       Impact factor: 4.379
  3 in total

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