Results 1 to 10 of about 46,720 (301)
Facile fabrication of polymer network using click chemistry and their computational study [PDF]
Royal Society Open Science, 2021 Click reaction is a very fast, high yield with no by-product, biocompatible, tolerant to surrounded medium, and very specific cycloaddition reaction between azides and alkynes to form triazole.
Md. Kausar Ahmed +2 more
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DFT calculations on conjugated organic molecules based on thienothiophene for electronic applications [PDF]
E3S Web of Conferences, 2022 We report theoretical studies on the optoelectronic structural properties of five thienothiophene (T) conjugated π conjugates. The geometries, the prediction of the optoelectronic structural properties of the five compounds are studied by calculations of
Elaati Allah Ismail +3 more
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Preparation, Full Characterization and Theoretical Studies for New Herniarin derivatives [PDF]
Engineering and Technology Journal, 2017 Novel Herniarin compounds were prepared and identified by UV–VIS, FTIR, NMR spectra. Theoretical Studies and molecular structure with optimized geometry were done by utilizing Density functional theory for the prepared ...
K.F. AL-Azawi
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Quantum chemical study of heterocyclic organic compounds on the corrosion inhibition
Chimica Techno Acta, 2022 Corrosion damages all materials, necessitating replacement and inspection related expenses. Thus, the demand has increased for new corrosion inhibitor materials.
Dyari Mustafa Mamand +3 more
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Structure reactivity analysis for Phenylalanine and Tyrosine
Cumhuriyet Science Journal, 2021 Phenylalanine (Phe) is one of the amino acids that cannot be produced in the body and must be ingested through diet. Tyrosine (Tyr) is also a non-essential amino acid and can be produced by Phe hydroxylation in the liver when the dietary intake of Tyr is
Pelin Koparır +3 more
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3-D Multi-Component Reverse Time Migration Method for Tunnel Seismic Data
Sensors, 2021 Migration imaging is a key step in tunnel seismic data processing. Due to the limitation of tunnel space, tunnel seismic data are small-quantity, multi-component, and have a small offset.
Peng Guan +6 more
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A QUANTUM CHEMICAL STUDY OF SMALL MOLECULES USED AS ACTIVE LAYER COMPONENT OF ORGANIC SOLAR CELLS
Momento, 2020 Organic solar cells (OSCs) are one of the best alternatives in the photovoltaic area. These devices convert directly sunlight into electrical current with reasonable efficiencies. The most important component of an OSC is the photoconductive active layer
Haci Baykara +3 more
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Orbital: The Electronic Journal of Chemistry, 2020 In this work, ten new small molecules based on Thienylenevinylene as a donor and heterocyclic group A as acceptor of electrons with the donor-acceptor-donor D-A-D structure were studied by density functional theory (DFT) and time-dependent DFT (TDDFT ...
El Alamy Aziz +4 more
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