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Path-integral calculations of heavy atom kinetic isotope effects in condensed phase reactions using higher-order

Alexandra Vardi-Kilshtain1, Asaf Azuri, Dan Thomas Major

  • 1Department of Chemistry and the Lise Meitner-Minerva Center of Computational Quantum Chemistry, Bar-Ilan University, Ramat-Gan 52900, Israel.

Journal of Computational Chemistry
|November 29, 2011
PubMed

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