Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning

Novichoks are the suspected nerve agents in the March 2018 Skripal poisoning. In this context, the novichok agent A234 (chemical structure proposed by Mirzayanov) was studied using computational methods to shed light on its molecular, electronic, spectroscopic, thermodynamic and toxicity parameters...

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Bibliographic Details
Main Authors: Hanusha Bhakhoa, Lydia Rhyman, Ponnadurai Ramasami
Format: Article
Language:English
Published: The Royal Society 2019-02-01
Series:Royal Society Open Science
Subjects:
dft
Online Access:https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.181831