Dimethyl-3-phenylurea (known as fenuron) which is a phenyl urea-based widely used
herbicide exhibits interesting structural and conformational properties and a notable …

The density functional theory calculations and spectroscopic characterization (FTIR, FT-
Raman, 1 H, 13 C NMR and ultraviolet–visible) of the herbicide compound Triclopyr (TCP) …

Abstract The FT-IR and FT-Raman spectra of Bifenox, Methyl 5-(2, 4-Dichlorophenoxy)-2-
Nitrobenzoate have been recorded in the range 4000-450 cm− 1 and 4000-50 cm− 1 …

The present study aims to provide deeper knowledge of structural, spectroscopic
conformational analysis and herbicidal activity of the rice paddy herbicide Mefenacet on …

The optimized molecular structure, vibrational frequencies, corresponding vibrational
assignments of 1-[5-(4-bromophenyl)-3-(4-fluorophenyl)-4, 5-dihydro-1H-pyrazol-1-yl] …

Nitroaromatic compounds are expansively used in the manufacturing of pharmaceuticals,
pesticides, plasticizers, azo dyes and explosives. Nitrophenolic compounds can accumulate …

The vibrational, electronic and charge transfer studies on 2-bromo-6-methoxynaphthalene
(2BMN) were done using DFT method with B3LYP/6-311++ G (d, p) theory using GAUSSIAN …

Yohimbine hydrochloride (YHCl) is an aphrodisiac and promoted for erectile dysfunction,
weight loss and depression. The optimized geometry, total energy, potential energy surface …

Abstract FT-IR and FT-Raman spectra of ethyl 3-(E)-(anthracen-9-yl) prop-2-enoate were
recorded and analyzed. The conformational behavior of the molecule was also investigated …

Abstract FT-IR and FT-Raman spectra of 2-[(E)-2-phenylethenyl] quinoline-5-carboxylic acid
were recorded and obtained and analyzed. The vibrational wavenumbers were computed …