All Stories

  1. Predicting atomic-level reaction mechanisms for SN2 reactions via machine learning

    Article • The Journal of Chemical Physics, December 2021, American Institute of Physics

    Dunyou Wang

  2. A multilayered-representation, quantum mechanical/molecular mechanics study of the CH3Cl + F− reaction in aqueous solution: the reaction mechanism, solvent effects and potential of mean force

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dunyou Wang

  3. Solvent effects and potential of mean force: a multilayered-representation quantum mechanical/molecular mechanics study of the CH3Br + CN− reaction in aqueous solution

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dunyou Wang

  4. Quantum dynamics study of the Cl + CH4 → HCl + CH3 reaction: reactive resonance, vibrational excitation reactivity, and rate constants

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dunyou Wang