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Marcin Rafal Buchowiecki

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Marcin Rafal Buchowiecki

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Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations

Monte Carlo evaluation of the equilibrium isotope effects using the Takahashi-Imada factorization of the Feynman path integral

Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation

Kinetic isotope effect in malonaldehyde determined from path integral Monte Carlo simulations

Monte Carlo evaluation of the equilibrium isotope effects using the Takahashi-Imada factorization of the Feynman path integral

Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation