High-Temperature Decomposition of Diisopropyl Methylphosphonate on Alumina: Mechanistic Predictions from Ab Initio Molecular Dynamics
Author:
Affiliation:
1. Department of Chemical & Environmental Engineering, Materials Science & Engineering Program, Department of Physics & Astronomy, and Department of Chemistry, University of California—Riverside, Riverside, California 92521, United States
Funder
Defense Threat Reduction Agency
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.1c05632
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