Computational Predictions of the Hydrolysis of 2,4,6-Trinitrotoluene (TNT) and 2,4-Dinitroanisole (DNAN)-Reference-Cited by-同舟云学术

Computational Predictions of the Hydrolysis of 2,4,6-Trinitrotoluene (TNT) and 2,4-Dinitroanisole (DNAN)

Published:2022-11-23 Issue:48 Volume:126 Page:9059-9075
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bylaska Eric J.¹^ORCID,Tratnyek Paul G.²^ORCID,Torralba-Sanchez Tifany L.²^ORCID,Edwards Kyle C.³,Dixon David A.³^ORCID,Pignatello Joseph J.⁴^ORCID,Xu Wenqing⁵^ORCID

Affiliation:

1. Fundamental Sciences, Pacific Northwest National Laboratory, Richland, Washington99354, United States

2. OHSU-PSU School of Public Health, Oregon Health & Science University, Portland, Oregon97239, United States

3. Department of Chemistry & Biochemistry, The University of Alabama, Tuscaloosa, Alabama35487-0336, United States

4. Department of Environmental Sciences, The Connecticut Agricultural Experiment Station, New Haven, Connecticut06511, United States

5. Civil and Environmental Engineering, Villanova University, Villanova, Pennsylvania19085, United States

Funder

Basic Energy Sciences

U.S. Department of Defense

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c06014

Reference90 articles.

1. A review of treatment methods for insensitive high explosive contaminated wastewater

2. Characterization of PAX-21 Insensitive Munition Detonation Residues

3. Detoxification of PAX-21 ammunitions wastewater by zero-valent iron for microbial reduction of perchlorate

4. Zunino, L.; Samuels, P.; Hu, C. In IMX-104 Characterization for DoD Qualification, Insensitive Munitions & Energetic Materials Technology Symposium, Las Vegas, Nevada, May 14–17, 2012.

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