One‐Pot conversion of carbohydrates into furan derivatives via furfural and 5‐hydroxylmethylfurfural as intermediates
B Liu, Z Zhang - ChemSusChem, 2016 - Wiley Online Library
Recently, there has been growing interest in the transformation of renewable biomass into
value‐added fuels and chemicals. The catalytic conversion of naturally abundant …
value‐added fuels and chemicals. The catalytic conversion of naturally abundant …
Exploring the molecular spectroscopic and electronic characterization of nanocrystalline Metal-free phthalocyanine: a DFT investigation
AA El-Saady, N Roushdy, AAM Farag… - Optical and Quantum …, 2023 - Springer
The molecular structure optimization and harmonic vibrational frequencies of
nanocrystalline metal-free phthalocyanine were investigated using the density functional …
nanocrystalline metal-free phthalocyanine were investigated using the density functional …
New supramolecular cocrystal of 2-amino-5-chloropyridine with 3-methylbenzoic acids: Syntheses, structural characterization, Hirshfeld surfaces and quantum …
amino-5-chloropyridine: 3-methylbenzoic acid [(2A5CP)(3MBA)](I) cocrystal was
synthesized and its single crystal was grown by slow evaporation technique. The structure of …
synthesized and its single crystal was grown by slow evaporation technique. The structure of …
Spectroscopic characterization of Cu (II), Ni (II), Co (II) complexes, and nano copper complex bearing a new S, O, N-donor chelating ligand. 3D modeling studies …
A new tridentate hydrazone ligand (HL), its Co (II), Ni (II), Cu (II) complexes (in 1: 1, 1: 2
molar ratios of metal to ligand), and the mixed-ligand Co (II), Ni (II), Cu (II) complexes of the …
molar ratios of metal to ligand), and the mixed-ligand Co (II), Ni (II), Cu (II) complexes of the …
Dual function of new Nd (III) and Gd (III) complexes for cytotoxic and optoelectronic fields: Synthesis, characterization, DFT calculations, and PVA composite films
New two lanthanide complexes of Neodymium (III) and Gadolinium (III) ions were prepared
based on 2‐Cyano‐N′‐([4‐oxo‐4H‐chromen‐3‐yl] methylene) acetohydrazide as a …
based on 2‐Cyano‐N′‐([4‐oxo‐4H‐chromen‐3‐yl] methylene) acetohydrazide as a …
Quantum chemical studies on structural, vibrational, nonlinear optical properties and chemical reactivity of indigo carmine dye
MAM El-Mansy - Spectrochimica Acta Part A: Molecular and …, 2017 - Elsevier
Structural and vibrational spectroscopic studies were performed on indigo carmine (IC)
isomers using FT-IR spectral analysis along with DFT/B3LYP method utilizing Gaussian 09 …
isomers using FT-IR spectral analysis along with DFT/B3LYP method utilizing Gaussian 09 …
One-pot synthesis of furfural derivatives from pentoses using solid acid and base catalysts
M Shirotori, S Nishimura, K Ebitani - Catalysis Science & Technology, 2014 - pubs.rsc.org
One-pot synthesis of (2-furanylmethylene) malononitrile, a Knoevenagel product of furfural
with malononitrile, from xylose efficiently proceeded by combined use of acid Amberlyst-15 …
with malononitrile, from xylose efficiently proceeded by combined use of acid Amberlyst-15 …
On the spectroscopic analyses of 3-Hydroxy-1-Phenyl-Pyridazin-6 (2H) one (HPHP): a comparative experimental and computational study
MAM El-Mansy, MS El-Bana, SS Fouad - Spectrochimica Acta Part A …, 2017 - Elsevier
We have systematically calculated various physical characteristics such as optimized
molecular structural parameters, vibrational frequencies, HOMO-LUMO energy gap, total …
molecular structural parameters, vibrational frequencies, HOMO-LUMO energy gap, total …
Nano copper (II) complex based on 2-cyano-N'-((2-hydroxynaphthalen-1-yl) methylene) acetohydrazide: Synthesis, spectroscopic, electrospinning, DFT calculations …
cyano-N'-((2-hydroxynaphthalen-1-yl) methylene) acetohydrazide,(1) and its copper (II)
chelate (2) were synthesized and characterized by elemental analyses, TGA, FT-IR and …
chelate (2) were synthesized and characterized by elemental analyses, TGA, FT-IR and …
The electronic and optical absorption properties of pristine, homo and hetero Bi-nanoclusters
MAM El-Mansy, W Osman, H Abdelsalam - Chemical Physics, 2021 - Elsevier
Abstract The TD-DFT and DFT calculations are applied to pristine, homo and hetero Bi
nanoclusters based on additive acetylene; pyrrole and thiophene monomers. Results …
nanoclusters based on additive acetylene; pyrrole and thiophene monomers. Results …