Jiri Vanicek

Summary

Affiliation: Harvard University
Country: USA

Publications

  1. ncbi request reprint Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: application to the intramolecular hydrogen transfer in pentadiene
    Jiri Vanicek
    Kenneth S Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA
    J Chem Phys 127:114309. 2007

Collaborators

Detail Information

Publications1

  1. ncbi request reprint Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: application to the intramolecular hydrogen transfer in pentadiene
    Jiri Vanicek
    Kenneth S Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA
    J Chem Phys 127:114309. 2007
    ..The calculation treats all 39 degrees of freedom quantum mechanically and uses an empirical valence bond potential based on a molecular mechanics force field...