This article represents the spectroscopic and computational studies of two new pyrazine
compounds. In order to establish the structure and functional nature of the compounds, we …

Using density functional theory technique in the B3LYP approximation and cc-pVDZ (5D, 7F)
basis set, the molecular structural parameters and vibrational wave numbers of two …

The molecular structural parameters and vibrational frequencies of 5-chloro-N-(3-
nitrophenyl) pyrazine-2-carboxamide have been obtained using density functional theory …

The vibrational spectra of 2-amino-7-bromo-5-oxo-[1] benzopyrano [2, 3-b] pyridine-3
carbonitrile were recorded using fourier transform-infrared and fourier transform-Raman …

The synthesis and characterization of a novel compound (S)-N-benzyl-1-phenyl-5-(pyridin-2-
yl)-pent-4-yn-2-amine (abbreviated as BPPPYA) was presented in this study. The …

Quantum chemical calculations of energies, geometrical structure and vibrational
wavenumbers of 1, 2-bis (3-methoxy-4-hydroxybenzylidene) hydrazine [vanillin azine (VA)] …

A set of chalcone compounds were prepared by reacting p-bromoacetophenone with
various substituted aromatic aldehyde in ethanol using sodium ethoxide as base. The …

Abstract The FT-IR and FT-Raman spectra of the synthesized compound, 2-isopropyl-5-
methylcyclohexyl quinoline-2-carboxylate is recorded and analyzed. Optimized molecular …

The optimized molecular structure, vibrational frequencies, corresponding vibrational
assignments of N-[(4-(trifluoromethyl) phenyl] pyrazine-2-carboxamide have been …

[N-(carboxymethyl) anilino] acetic acid (PIDAA) molecule has been spectroscopically
characterized and computationally investigated for its fundamental reactive properties by a …