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Path integral evaluation of equilibrium isotope effects

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Path integral evaluation of equilibrium isotope effects

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

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

Looping probabilities of elastic chains: A path integral approach

Numerical Study Of An Anisotropic Error Estimator In The L-2(H-1) Norm For The Finite Element Discretization Of The Wave Equation

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

Ground state properties of large atoms and quantum dots

Linear Polynuclear Helicates as a Link between Discrete Supramolecular Complexes and Programmed Infinite Polymetallic Chains

A path integral formalism of DNA looping probability

On the coupling integrals arising in the method of moments formulation of laterally bounded structures

Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: Application to the intramolecular hydrogen transfer in pentadiene