Polyfluoroalkyl and perfluoroalkyl substances (PFAS) are ecotoxic amphiphilic compounds
containing alkyl-fluorinated chains terminated with weak acid moieties, and hence difficult to …

The high viscosity characteristics of heavy oil make it difficult to extract, transport and
process. Therefore, enhancing the fluidity of heavy oil can effectively improve the economic …

In this study, the molecular conformation, vibrational and electronic transition analysis of 2, 3-
difluorobenzoic acid and 2, 4-difluorobenzoic acid (C7H4F2O2) were presented using …

The density functional theory (DFT) and Hatree–Fock (HF) method was performed at 6-
311++ G∗∗ level to derive the equilibrium geometry, vibrational wavenumbers, infrared …

The complete structural and vibrational analysis of the 2, 5-Difluoronitrobenzene (DNB) was
carried out by Hartree-Fock (HF) and density functional theory (DFT) method (B3LYP) with 6 …

FT-IR and FT-Raman spectra of p-fluoronitrobenzene (FNO2C6H4) have been recorded in
the region 4000–100cm− 1. In this work, the experimental and theoretical spectra of p …

This work describes the synthesis of 2-iodo-3, 4, 5-trimethoxybenzoic acid. The combination
of iodine and silver trifluoroacetate (AgTFA) reagents was used successfully for the …

Structural and vibrational studies have been carried out for the most stable conformer of
serotonin (5-HT) at the DFT/B3LYP/6-311++ G** level using the Gaussian 09 software. In …

In the present investigation, the FT-IR/FT-Raman spectra of the m-fluoronitrobenzene (m-
FNBZ) are recorded. The fundamental frequencies are assigned and the computational …

Халогенозаместените ароматни съединения се използват с безспорен успех в
органичния и фармацевтичния синтез. Рационално," дизайнът" на голямо …