Deep-learning prediction of safety moiety of salen-type complex crystals towards explosive perchlorate salts

Deep-learning prediction of safety moiety of salen-type complex crystals towards explosive perchlorate salts

Perchlorate compounds are well-known for their explosive and hazardous nature. Considering previously reported perchlorate crystals of salen-type manganese (III) complexes, our study aimed to identify the specific molecular/crystal structure responsible for their explosive properties. Employing deep...

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Bibliographic Details
Main Authors: Takashiro Akitsu, Yuji Takiguchi, Shintaro Suda, Daisuke Nakane
Format: Article
Language:English
Published: KeAi Communications Co. Ltd. 2024-09-01
Series:FirePhysChem
Subjects:
Perchlorate
Explosive
Crystal structure
Hirshfeld surface analysis
Deep learning
Online Access:http://www.sciencedirect.com/science/article/pii/S2667134423000615

Internet

http://www.sciencedirect.com/science/article/pii/S2667134423000615

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