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

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

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Beyond Transition State Theory: Accurate Description of Nuclear Quantum Effects on the Rate and Equilibrium Constants of Chemical Reactions Using Feynman Path Integrals

NMR Study of Ligand Exchange and Electron Self-Exchange between Oxo-Centered Trinuclear Clusters [Fe3(μ3-O)(μ-O2CR)6(4-R´py)3]+/0

Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] sigmatropic hydrogen shift in (Z)-1,3-pentadiene

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

Looping probabilities of elastic chains: A path integral approach

Proton Transfer Studied Using a Combined Ab Initio Reactive Potential Energy Surface with Quantum Path Integral Methodology

Path integral evaluation of equilibrium isotope effects

Path integral evaluation of the equilibrium isotope effect in [1,5] sigmatropic hydrogen shift reactions

Iron isotope fractionation and atom exchange during sorption of ferrous iron to mineral surfaces

Relative Basicities of ortho-, meta-, and para-Substituted Aryllithiums