Computational exploration of Cu(II)-en chelate-catalyzed hydrolysis of O-isopropyl methylphosphonofluoridate-Reference-Cited by-同舟云学术

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Computational exploration of Cu(II)-en chelate-catalyzed hydrolysis of O-isopropyl methylphosphonofluoridate

Published:2023-06-15 Issue:7 Volume:29 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Khan Md Abdul Shafeeuulla,Bhanuchander Nellore,Reddy Jaggavarapu Satyanarayana,Anna Venkateswaara Rao,Ganguly Bishwajit

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s00894-023-05614-4.pdf

Reference39 articles.

1. Daniel KA, Kopff LA, Patterson EV (2008) Computational studies on the solvolysis of the chemical warfare agent VX. J Phys Org Chem 21:321–328

2. Yang Y-C, Szafraniec LL, Beaudry WT, Rohrbaugh DK (1990) Oxidative detoxification of phosphonothiolates. J Am Chem Soc 112:6621–6627

3. Simanenko YS, Savelova VA, Prop’eva TM, Mikhailov VA, Turovskaya MK, Karpichev EA, Popov AF, Gillitt ND, Bunton CA (2004) Bis(dialkylamide)hydrogen dibromobromate precursors of hypobromite ion in reactions with nerve and blister agent simulants. J Org Chem 69:9238–9240

4. Vorontsov AV, Davydov L, Reddy EP, Lion C, Savinov EN, Smirniotis PG (2002) Routes of photocatalytic destruction of chemical warfare agent simulants. New J Chem 26:732–744

5. Vorontsov AV, Chen Y-C, Smirniotis PG (2004) Photocatalytic oxidation of VX simulant 2-(butylamino) ethanethiol. J Hazard Mat B113:89–95

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