Showing 1 - 20 results of 186 for search '"molecular structure"', query time: 0.08s Refine Results
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    On the Temperature Indices of Molecular Structures of Some Networks by Akbar Jahanbani, Rana Khoeilar, Murat Cancan

    Published 2022-01-01
    “…Theoretical and statistical study of drug-like compounds improves the drug design and finding work-flow by rationalizing lead detection, instant decision, and mechanism of action comprehension. Using molecular structure characterization and edge segmentation technique, we computed the general temperature topological indices for OTIS networks.…”
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    Computational Nanochemistry Study of the Molecular Structure and Properties of Chlorophyll a by Mónica Alvarado-González, Norma Flores-Holguín, Daniel Glossman-Mitnik

    Published 2013-01-01
    “…The M06 family of density functionals has been assessed for the calculation of the molecular structure and properties of the chlorophyll a molecule. …”
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    A computational approach for prediction of viscosity of chemical compounds based on molecular structures by Sneha Das, Ram Kishore Roy, Tulshi Bezboruah

    Published 2025-01-01
    “…The research paper explores the feasibility of predicting the viscosity of a diverse chemical compound by using molecular structures at 25 °C through supervised machine learning methods. …”
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    Theoretical Study of Copper Complexes: Molecular Structure, Properties, and Its Application to Solar Cells by Jesus Baldenebro-Lopez, Norma Flores-Holguin, Jose Castorena-Gonzalez, Jorge Almaral-Sanchez, Daniel Glossman-Mitnik

    Published 2013-01-01
    “…This level of calculation was used to find the optimized molecular structure, the absorption spectra, the molecular orbitals energies, and the chemical reactivity parameters that arise from conceptual DFT. …”
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    Effect of High Pressure on the Molecular Structure and π-Electrons Delocalization of Canthaxanthin as Revealed by Raman Spectra by Shun-li Ou-Yang, Nan-nan Wu, Yan-jie Tian

    Published 2015-01-01
    “…The effect of high pressure on the molecular structure and π-electron delocalization of canthaxanthin was studied by in situ resonance Raman spectroscopy. …”
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    Crystal and Molecular Structure of Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl) acetamido)copper(II) Complex by Hakan Arslan, Ulrich Flörke, Demet Sezgin Mansuroglu

    Published 2011-01-01
    “…The crystal and molecular structure of the title compound has been determined from single crystal X-ray diffraction data. …”
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