Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), NLO, NBO, HOMO-LUMO, Fukui function and molecular docking study of (E)-1-(5-bromo-2 …
M Raja, RR Muhamed, S Muthu, M Suresh - Journal of Molecular Structure, 2017 - Elsevier
Abstract The title compound,(E)-1-(5-bromo-2-hydroxybenzylidene) semicarbazide (15BHS)
was synthesized and characterized by FT-IR, FT-Raman, UV, 1 HNMR and 13 CNMR …
was synthesized and characterized by FT-IR, FT-Raman, UV, 1 HNMR and 13 CNMR …
[PDF][PDF] Experimental and theoretical investigations of spectroscopic properties of N-acetyl-5-methoxytryptamine
S Gunasekaran, RA Balaji, S Kumeresan… - Can. J. Anal. Sci …, 2008 - researchgate.net
Ab initio and density functional computations of the vibrational (IR) spectrum, molecular
geometry, the atomic charges and molecular polarizabilities were carried out on melatonin …
geometry, the atomic charges and molecular polarizabilities were carried out on melatonin …
Benzotriazole as a volatile corrosion inhibitor during the early stage of copper corrosion under adsorbed thin electrolyte layers
Z Chen, L Huang, G Zhang, Y Qiu, X Guo - Corrosion Science, 2012 - Elsevier
The inhibition effect of benzotriazole (BTAH) during the early stage of copper corrosion
under adsorbed thin electrolyte layers (ATEL) was investigated. Electrochemical data show …
under adsorbed thin electrolyte layers (ATEL) was investigated. Electrochemical data show …
Synthesis, anti-proliferative activity, computational studies of tetrazole cellulose utilizing different homogenous catalyst
Micheal addition reaction of the microcrystalline cellulose (MCC)(1) with acrylonitrile (2)
afford the corresponding microcrystalline cyanoethyl cellulose (MCEC) which cyclized via …
afford the corresponding microcrystalline cyanoethyl cellulose (MCEC) which cyclized via …
Comparison of experimental and ab initio HF and DFT vibrational spectra of benzimidazole
N Sundaraganesan, S Ilakiamani, P Subramani… - … Acta Part A: Molecular …, 2007 - Elsevier
In this work, we will report a combined experimental and theoretical study on molecular and
vibrational structure of benzimidazole. The laser Raman and Fourier transform infrared …
vibrational structure of benzimidazole. The laser Raman and Fourier transform infrared …
Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), first order hyperpolarizability, NBO and molecular docking study of (E)-1-(4-bromobenzylidene) …
M Raja, RR Muhamed, S Muthu, M Suresh - Journal of Molecular Structure, 2017 - Elsevier
Abstract The compound (E)-1-(4-bromobenzylidene) semicarbazide (4BSC) was
synthesized and characterized by FT-IR, FT-Raman, UV–Visible, 1 HNMR and 13 CNMR …
synthesized and characterized by FT-IR, FT-Raman, UV–Visible, 1 HNMR and 13 CNMR …
FT-IR, UV spectroscopic and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 2-aminoterephthalic acid
M Karabacak, M Cinar, Z Unal, M Kurt - Journal of Molecular Structure, 2010 - Elsevier
In this work, the molecular conformation, vibrational and electronic analysis of 2-
aminoterephthalic acid are presented for the ground state using FT-IR experimental …
aminoterephthalic acid are presented for the ground state using FT-IR experimental …
Density functional theory calculations, structural and spectroscopic characterization, and solvent-dependent HOMO-LUMO studies of 2-nitro-4-methylanilinium …
E Mohanapriya, S Elangovan, N Kanagathara… - Journal of Molecular …, 2024 - Elsevier
Abstract Single crystals of 2-nitro-4-methylanilinium benzenesulfonate were successfully
grown from a water solution and the crystalline arrangement was determined through XRD …
grown from a water solution and the crystalline arrangement was determined through XRD …
FT-IR, FT-Raman, NMR spectra and DFT calculations on 4-chloro-N-methylaniline
AU Rani, N Sundaraganesan, M Kurt, M Cinar… - … Acta Part A: Molecular …, 2010 - Elsevier
In this work, the vibrational spectral analysis was carried out by using FT-IR and FT-Raman
spectroscopy in the range 400–4000 and 50–3500cm− 1 respectively, for the title molecule …
spectroscopy in the range 400–4000 and 50–3500cm− 1 respectively, for the title molecule …
Synthesis, biological evaluation, molecular docking and DFT calculations of novel benzenesulfonamide derivatives
AM Fahim, MA Shalaby - Journal of Molecular Structure, 2019 - Elsevier
Abstract The reaction of N-(4-acetylphenyl) benzene sulphonamide derivatives 3a and 3b
with N, N dimethyl formamide dimethyl acetal (DMF-DMA) afford acryloyl (phenyl) …
with N, N dimethyl formamide dimethyl acetal (DMF-DMA) afford acryloyl (phenyl) …