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ABSTRACT:
SUBMITTER: Benbouguerra K
PROVIDER: S-EPMC8059216 | biostudies-literature | 2021 Sep
REPOSITORIES: biostudies-literature
Benbouguerra Khalissa K Chafai Nadjib N Chafaa Salah S Touahria Youcef Islam YI Tlidjane Hamida H
Journal of molecular structure 20210421
A new α-Hydrazinophosphonic acid (HDZPA) has been synthesized and its molecular structure was determined using spectroscopic methods. The Density Functional Theory (DFT) at the B3LYP/6-31 G (d,p) level was utilized to determine the electronic properties, vibrational modes and active sites of the examined molecule. In this context, some quantum chemical parameters have been calculated in order to discuss the reactivity of the studied molecule. Also, the inhibition activity of the investigated α-H ...[more]