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On the molecular properties of graphene-pyrazines conjugated Ru and Fe complexes: Computational insights
منشور في 2021"…The finding reported herein demonstrates the applicability of graphene in covalent heterogenization of a molecular catalyst. As such, these computational insights can be useful in future efforts toward developing efficient heterogeneous molecular catalysts for a wide range of important chemical transformations.…"
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On the molecular properties of graphene-pyrazines conjugated Ru and Fe complexes: Computational insights
منشور في 2020"…The finding reported herein demonstrates the applicability of graphene in covalent heterogenization of a molecular catalyst. As such, these computational insights can be useful in future efforts toward developing efficient heterogeneous molecular catalysts for a wide range of important chemical transformations.…"
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Elucidation of the influence of tautomerization on the physicochemical stability of photoactive anticancer drug Vemurafenib in Solutions: Computational insights
منشور في 2024"…To explore VFB’s stability in aqueous solutions, we used computational methods, focusing on tautomeric transitions and intermolecular hydrogen bonding with DMF. …"
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Computational Insights on the Electrocatalytic Behavior of [Cp*Rh] Molecular Catalysts Immobilized on Graphene for Heterogeneous Hydrogen Evolution Reaction
منشور في 2020"…In this work, we examined computationally the electrochemical properties of nanographene-based heterogenized molecular complexes of Rhodium. …"
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Real-time analysis of soccer ball–player interactions using graph convolutional networks for enhanced game insights
منشور في 2025"…Our approach leverages the power of deep computer vision models, employing a CSPDarknet53 backbone for detection and a Graph Convolutional Network (GCN) for predictive analytics. …"
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Nudge vs. Sludge: Using Behavioural Insights to Simplify and Enhance Library Experiences
منشور في 2025الموضوعات: -
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