Raman and IR spectroscopic analysis
Molecular Structure, Spectroscopic(FT IR,FT Raman, NMR,UV), HOMO LUMO Analysis of 1 Bromo 4 Nitrobenzene by Quantum Computational Methods
... Strong characteristic absorption due to the C- Br stretching vibration is observed with the position of the band being influenced by neighbouring atoms( or) groups .The smaller the halide atom, the greater the influence ...
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Quantum Chemical and Spectroscopic (Ft-Ir, Ft-Raman) Study, first order Hyperpolarizability, Nbo, Analysis Homo and Lumo Analysis of Selegiline by Abinitio Hf and Dft Method
... vibrational analysis of selegiline is performed on the basis of the characteristic vibrations of amide, methyl, nitro and phenyl ring ...their IR and Raman activities, depolarization ratios, force ...
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Application of micro-raman and ft-ir spectroscopy in forensic analysis of automotive topcoats in the Republic of Macedonia
... micro- Raman and FT-IR ...micro-Raman spectroscopic technique in forensic investigation in road accidents, four successfully solved cases from the police investigation in hit-and-run accidents ...
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“QUALITATIVE ANALYSIS OF ENVIRONMENTALLY RESPONSIVE BIODEGRADABLE SMART CARBOPOL POLYMER” by Subhashree Sahoo*, Chandra Kanti Chakraborti, Subash Chandra Mishra, Upendra Nath Nanda, India.
... (FTIR) analysis was performed by FTIR Spectrophotometer interfaced with infrared (IR) microscope operated in reflectance ...temperature. Raman spectroscopic analysis for the two grades ...
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Structural analysis of 4-(Trifluoromethyl) Phenylacetonitrile : FT-IR, FT-Raman and NMR Approaches
... vibrational spectroscopic research based on optimized molecular structure to give the correct assignment of fundamental bands in the experimentally observed FT-IR and FT-Raman ...
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FT IR and FT Raman Spectra and Normal Coordinate Analysis of Poly methyl methacrylate
... PMMA. Spectroscopic properties of blends formed of PMMA doped with Europium (III) acetylacetonate have been studied recently by photoacoustic spectroscopy (PAS) and photoluminescent (PL) spectroscopy ...(DIP-MS) ...
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Spectroscopic (ft ir, ft raman and uv vis) study, homo lumo, nbo and molecular docking analysis of alkylating agent: bis chloroethylnitrosourea
... ground to the first excited state and is mainly described by one-electron excitation from highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO). The energy of the HOMO is directly ...
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Molecular structural, spectroscopic (ft ir, ft raman and uv–vis) studies on the 3 (4 fluorobenzoyl) propionic acid by dft calculations
... vibrational analysis at B3LYP/6-31G(d) level, the standard statistical thermodynamic functions: heat capacity ( C 0 p m , ), entropy ( S m 0 ) and enthalpy changes ( H m 0 ) for the title compound were obtained ...
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Vibrational spectroscopic (FT IR, FT Raman), NMR and electronic structure calculations of metaxalone
... Calculation of thermodynamic properties of molecules is an important phenomenon for both chemical equilibrium and thermochemistry. On the basis of vibrational analysis at B3LYP/6-311++G(d,p) level. The standard ...
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Vibrational spectroscopic (FT IR, FT Raman and NMR) and DFT analysis of 2 methoxy 3 (trifluoromethyl) pyridine
... In the present work, a complete vibrational analysis and electronic properties of MTFMP was performed at DFT methods B3LYP and LSDA at 6-311++G(d,p) basis set level. The computed vibrational wavenumbers were ...
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FTIR AND LASER RAMAN SPECTRAL ANALYSIS OF CRYSTALLINE DL–VALINIUM DIHYDROGEN PHOSPHATE
... for Raman spectral measurements [Jayaraj and Ramakrishnan, ...data, Raman spectral measurements were also made with DILOR Z24 FT-IR Raman spectrometer with krypton ion laser operating at ...
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Harmonic Analysis of Vibrations of 4-Chloro-2-Fluroaniline: A Scaled Quantum Mechanical Approach
... and Raman spectra of 4-Chloro-2-Fluroaniline (4C2FA) were ...coordinate analysis based on a scaled quantum mechanical (SQM) force ...and Raman spectra were also predicted from the calculated ...
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FORMULATION AND EVALUATION OF ACECLOFENAC SOLID DISPERSIONS FOR DISSOLUTION RATE ENHANCEMENT
... was to investigate the possibility of improving the solubility and dissolution rate of Aceclofenac by preparing SDs with various water-soluble polymers such as mannitol, lactose and urea. The prepared SDs were evaluated ...
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Porcelain shards from Portuguese wrecks: Raman spectroscopic analysis of marine archaeological ceramics
... In the sixteenth and seventeenth centuries, the native European glazed terracotta, tin-glazed earthenware and majolica had to compete unsuccessfully with imports of hard paste (pate dure) porcelains from China; the ...
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Effect of Strontium on Li2O-V2O5-B2O3conducting glasses
... and Raman Spectroscopic techniques. IR measurements were done over a spectral range 400-1700 cm -1 , where all absorption bands above 500 cm -1 correspond to borate ...The Raman spectra were ...
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Synthesis, Spectral Characterization and X-ray Diffraction Studies of Cerium Complex of Glipizide, An Oral Antidiabetic Drug
... The proposed structure of glipizide-cerium complex, initially Job’s method of Continuous variation as modified by Turner and Anderson was conducted which indicate 2:1ligand metal ratio. Moreover, stability constant and ...
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SYNTHESIS AND ANTIMICROBIAL SCREENING OF SOME NEW PYRAZOLINE AND 1,6 DIHYDROPYRIMIDINE DERIVATIVES
... Elemental analysis of the all the synthesized compounds were carried out on Elementar Vario EL III Carlo Erba 1108 model and the results are in agreements with the structures ...
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Comparison of the Vibrational Spectra of Copper Polysilicate, CuSiO3, with Those of the Prototypic Copper Polygermanate, CuGeO3
... Once the correct mode assignment has been found, it is sufficient to apply to the silicate the results of the normal coordinate analysis for the germanate, al- ready given by Popović et al. [19], in order to find ...
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Microscopic Laser Raman and Infrared Spectroscopic Study of Tengchongite
... Before analysis of microscopic laser Raman and infrared spectroscopy, the chemical composition of the sample was analyzed byTescanVega3 scanning electronic microscope and EDAX ...spectrum analysis ...
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Raman spectroscopic study on the behavior of boric acid in wood
... Fourier-transform (FT)-Raman spectra were recorded using a JEOL JIR7000W spectrometer equipped with an RS-RSU-200 Raman module and a TGS detector. The excitation source was an Nd 3⫹ : YAG laser (1064.1 nm) ...
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