Response to "What Shall We Do with Computed Detonation Performance? Comment on '1,3,4-Oxadiazole Bridges: A Strategy to Improve Energetics at the Molecular Level'"

Jinchao Ma; Ajay Kumar Chinnam; Guangbin Cheng; Hongwei Yang; Jiaheng Zhang; Jean'ne M Shreeve

doi:10.1002/anie.202104753

Response to "What Shall We Do with Computed Detonation Performance? Comment on '1,3,4-Oxadiazole Bridges: A Strategy to Improve Energetics at the Molecular Level'"

Angew Chem Int Ed Engl. 2021 May 17;60(21):11571. doi: 10.1002/anie.202104753. Epub 2021 Apr 16.

Authors

Jinchao Ma^{1

2

3}, Ajay Kumar Chinnam², Guangbin Cheng¹, Hongwei Yang¹, Jiaheng Zhang³, Jean'ne M Shreeve²

Affiliations

¹ School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing, 210000, China.
² Department of Chemistry, University of Idaho, Moscow, ID, 83844-2343, USA.
³ Biomaterials Center, Zhuhai Institute of Advanced Technology Chinese Academy of Sciences, Zhuhai, 519003, China.

PMID: 33860591
DOI: 10.1002/anie.202104753

Abstract

The values obtained for detonation performance are a function of the computational methods utilized. Since there are many such methods, the literature may contain a range of values for a single compound.

Keywords: Explo5; detonation performance; empirical methods; thermodynamic codes.

Publication types

Letter