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Synthesis, molecular conformation, vibrational, electronic transition, and chemical shift assignments of 4-(thiophene-3-ylmethoxy)phthalonitrile: a combined experimental and theoretical analysis
(SPRINGER/PLENUM PUBLISHERS, 2011)
This work presents the synthesis and characterization of a novel compound, 4-(thiophene-3-ylmethoxy)phthalonitrile (TMP). The spectroscopic properties of the compound were examined by FT-IR, FT-Raman, NMR, and UV techniques. ...
FT-IR, UV spectroscopic and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 2-aminoterephthalic acid
(ELSEVIER SCIENCE BV, 2010)
In this work, the molecular conformation, vibrational and electronic analysis of 2-aminoterephthalic acid are presented for the ground state using FT-IR experimental technique and density functional theory (DFT) employing ...
DFT based computational study on the molecular conformation, NMR chemical shifts and vibrational transitions for N-(2-methylphenyl) methanesulfonamide and N-(3-methylphenyl) methanesulfonamide
(ELSEVIER SCIENCE BV, 2010)
This paper presents a DFT quantum chemical investigation of the molecular conformation, NMR chemical shifts and vibrational transitions of N-(2-methylphenyl)methanesulfonamide and N-(3-methylphenyl)methanesulfonamide ...
FT-Raman, FT-IR spectra and DFT calculations on monomeric and dimeric structures of 5-fluoro- and 5-chloro-salicylic acid
(WILEY, 2010)
The experimental and theoretical study on the structures and vibrations of 5-fluoro-salicylic acid and 5-chloro-salicylic acid (5-FSA and 5-ClSA, C7H5FO3 and C7H5ClO3) is presented. The Fourier transform infrared spectra ...
Effect of Fe doping on the CO gas sensing of functional calixarene molecules measured with quartz crystal microbalance technique
(ELSEVIER SCIENCE SA, 2015)
This article presents comprehensive studies of carbon monoxide (CO) responses of bare and iron doped six calix[4]arene derivatives substituted with various functional groups based on quartz crystal microbalance (QCM) ...
Synthesis, structure characterization and antimicrobial evaluation of 4-(substituted phenylazo)-3,5-diacetamido-1H-pyrazoles
(PERGAMON-ELSEVIER SCIENCE LTD, 2013)
The present article deals with the synthesis, spectral characterization and antimicrobial activity of phenylazo dyes. All of the synthesized phenylazo dyes were characterized using ATR-FTIR, FT-Raman, H-1 NMR, C-13 NMR, ...
Molecular structure investigation and spectros copic studies on 2,3-difluorophenylboronic acid: A combined experimental and theoretical analysis
(PERGAMON-ELSEVIER SCIENCE LTD, 2012)
This work presents the characterization of 2,3-difluorophenylboronic acid (abbreviated as 2,3-DFPBA. C6H3B(OH)(2)F-2) by quantum chemical calculations and spectral techniques. The spectroscopic properties were investigated ...
Determination of structural, spectrometric and nonlinear optical features of 2-(4-hydroxyphenylazo)benzoic acid by experimental techniques and quantum chemical calculations
(PERGAMON-ELSEVIER SCIENCE LTD, 2013)
The optimized geometrical structure, vibrational and electronic transitions, chemical shifts and nonlinear optical properties of 2-(4-hydroxyphenylazo)benzoic acid (HABA) compound were presented in this study. The ground ...
Experimental vibrational spectra (Raman, infrared) and DFT calculations on monomeric and dimeric structures of 2-and 6-bromonicotinic acid
(JOHN WILEY & SONS LTD, 2010)
In this work, the Fourier transform infrared and Raman spectra of 2-bromonicotinic acid and 6-bromonicotinic acid (abbreviated as 2-BrNA and 6-BrNA, C(6)H(4)BrNO(2)) have been recorded in the region 4000-400 and 3500-50 ...
Morphological analysis of the antibacterial action of chitosan on gram-negative bacteria using atomic force microscopy
(CURRENT BIOLOGY LTD, 2013)
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