All Stories

  1. Autocorrelation of electronic wave-functions: a new approach for describing the evolution of electronic structure in the course of dynamics

    Article • Molecular Physics, May 2018, Taylor & Francis

    Barak Hirshberg

  2. Decomposition of Condensed Phase Energetic Materials: Interplay between Uni- and Bimolecular Mechanisms

    Article • Journal of the American Chemical Society, March 2014, American Chemical Society (ACS)

    Barak Hirshberg

  3. Calculations predict a stable molecular crystal of N8

    Article • Nature Chemistry, December 2013, Springer Science + Business Media

    Barak Hirshberg

  4. First-Principles-Based Reaction Kinetics for Decomposition of Hot, Dense Liquid TNT from ReaxFF Multiscale Reactive Dynamics Simulations

    Article • The Journal of Physical Chemistry C, October 2013, American Chemical Society (ACS)

    Barak Hirshberg

  5. First principles prediction of an insensitive high energy density material

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Barak Hirshberg

  6. Decomposition mechanisms and dynamics of N6: Bond orders and partial charges along classical trajectories

    Article • Chemical Physics Letters, April 2012, Elsevier

    Barak Hirshberg