Reaction Mechanism and Energetics of Decomposition of Tetrakis(1,3-dimethyltetrazol-5-imidoperchloratomanganese(II)) from Quantum-Mechanics-based Reactive Dynamics-Reference-Cited by-同舟云学术

Reaction Mechanism and Energetics of Decomposition of Tetrakis(1,3-dimethyltetrazol-5-imidoperchloratomanganese(II)) from Quantum-Mechanics-based Reactive Dynamics

Published:2021-10-08 Issue:41 Volume:143 Page:16960-16975
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Zybin Sergey V.¹,Morozov Sergey I.²^ORCID,Prakash Prabhat³⁴^ORCID,Zdilla Michael J.⁴^ORCID,Goddard William A.¹^ORCID

Affiliation:

1. Materials and Process Simulation Center (MSC), California Institute of Technology (Caltech), Pasadena, California 91125, United States

2. Department of Physics of Nanoscale Systems, South Ural State University, 76 Lenin Prospekt, Chelyabinsk 454080, Russia

3. Materials Engineering, Indian Institute of Technology Gandhinagar, Palaj, Gandhinagar 382355, India

4. Department of Chemistry, Temple University, 1901 North 13th Street, Philadelphia, Pennsylvania 19122, United States

Funder

Office of Naval Research Global

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/jacs.1c04847

Reference51 articles.

1. High Energy Materials

2. The Relative Explosive Power of Some Explosives

3. The Kamlet‐Jacobs Parameter φ: A Measure of Intrinsic Detonation Potential

4. Chemistry of Detonations. I. A Simple Method for Calculating Detonation Properties of C–H–N–O Explosives

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