Vanicek, Jiri; Miller, William H.

Open Access Publications from the University of California

Efficient Estimators for Quantum Instanton Evaluation of the Kinetic Isotope Effects: Application to the Intramolecular Hydrogen Transfer in Pentadiene

2007

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Lawrence Berkeley National Laboratory

Efficient Estimators for Quantum Instanton Evaluation of the Kinetic Isotope Effects: Application to the Intramolecular Hydrogen Transfer in Pentadiene