Combined experimental and computational investigation of a Schiff base derived from N-(1-naphthyl)ethylenediamine for fluoride recognition
Abstract The Bratton–Marshall reagent, a free base of N-(1-naphthyl) ethylenediamine
dihydrochloride (NEDA2+. 2Cl−), is used to analyse arylamine type of drugs and as a sensor …
dihydrochloride (NEDA2+. 2Cl−), is used to analyse arylamine type of drugs and as a sensor …
Design of derivatives of FOX-7-based new four-member heterocyclic insensitive high energy density molecules: a theoretical prospectives
S Ghanta - Journal of Molecular Modeling, 2023 - Springer
Background Theoretical analysis of the novel, insensitive and high-energy density
compounds based on the 1, 1-dinitro-2, 2-diamino-ethylene (FOX-7) moiety is presented …
compounds based on the 1, 1-dinitro-2, 2-diamino-ethylene (FOX-7) moiety is presented …
Design of CHNO based new hetero-cyclic high energy density molecules: a theoretical survey
Theoretical study of CHNO based new high energy density molecules is modeled with well-
known FOX-7 (1, 1-dinitro 2, 2-diamino ethylene) moiety. We have designed some new …
known FOX-7 (1, 1-dinitro 2, 2-diamino ethylene) moiety. We have designed some new …
Design of insensitive high explosives based on FOX-7: a theoretical prospectives
Context This article presents a theoretical study of three insensitive high explosives based
on the FOX-7 moiety. A few heterocyclic five-and six-member nitrogen-rich compounds have …
on the FOX-7 moiety. A few heterocyclic five-and six-member nitrogen-rich compounds have …
An electronic structure perspective of the promoter modes in proton transfer reactions
B Saritha, M Durga Prasad - The Journal of Physical Chemistry A, 2011 - ACS Publications
The changes in the electronic structure are analyzed along the IRC of proton transfer
reactions in two model systems, formic acid dimer and cyclic HF trimer. The IRC consists of …
reactions in two model systems, formic acid dimer and cyclic HF trimer. The IRC consists of …