First-principles-based reaction kinetics for decomposition of hot, dense liquid TNT from ReaxFF multiscale reactive dynamics simulations

Naomi Rom, Barak Hirshberg, Yehuda Zeiri, David Furman, Sergey V. Zybin, William A. Goddard, Ronnie Kosloff

Research output: Contribution to journal › Article › peer-review

74 Scopus citations

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Engineering

Chemistry

Chemical Engineering

Material Science