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On the Temperature Indices of Molecular Structures of Some Networks
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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Spectroscopic investigation of the ultrasound impacts on the molecular structures of blood proteins
Published 2025-06-01Subjects: Get full text
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Computational Nanochemistry Study of the Molecular Structure and Properties of Chlorophyll a
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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Retracted: Computing the Energy and Estrada Index of Different Molecular Structures
Published 2023-01-01Get full text
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A computational approach for prediction of viscosity of chemical compounds based on molecular structures
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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Use of high-resolution NMR spectra transformed by paramagnetic complexes for studying molecular structure
Published 2019-08-01Article -
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Theoretical Study of Copper Complexes: Molecular Structure, Properties, and Its Application to Solar Cells
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
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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Molecular structures and adsorption of dyes on bismuth oxychloride surfaces using density functional theory and Monte Carlo dynamic simulation
Published 2025-01-01Subjects: Get full text
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Cdk6’s functions are critically regulated by its unique C-terminus
Published 2025-02-01Subjects: Get full text
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Crystal and Molecular Structure of Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl) acetamido)copper(II) Complex
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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