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Effect of Defects and Photoexcited Electrons on CO2 Reduction using Supported Single Atom Catalysts
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Iridium-based bimetallic alloy catalysts for the ethanol oxidation reaction for fuel cells modeled by density functional theory
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Conversion of Carbon Dioxide to Fuels using Dispersed Atomic-Size Catalysts
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Catalysis and Photocatalysis over TiO2 Surfaces Detailed from First Principles
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Molecular Modeling of Adsorbed NDMA in MFI Zeolites
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Developing Viable Catalysts for Ethanol Oxidation Using Electronic Structure Calculations
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Simulation of the diffusion of endocrine disrupting compounds in silicalite by molecular dynamics
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Atomistic Modeling of Key Factors in Catalytic Ethanol Oxidation
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Unearthing Patterns in Venetian History: Developing an Online Tool for Discovering Patterns in Subterranean Archaeological Sites
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A Study of Potential Organometallic Photosensitizers for TiO2 Using Density Functional Theory
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Energy Challenges: Tackling Energy Savings Through Purchase Habits
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The Influence of nC60 on Hydroxyl Radicals (·OH)
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Molecular Interactions between Simple Sugars and Styrene Derivatives: Identifying Favorable Binding Agents for Bifunctional Solid Acid Catalysts
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Strategies to Reduce Energy Consumption and Waste Production Through Moderate Lifestyle Modifications
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Computational Chemistry as a Teaching Aid
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A First Principles Study of Graphene/TiO2 Composite Catalysts to Improve Photocatalytic Activity
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Discovering Solar Materials Through Materials Modeling
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Visible Light Responsive Photocatalytic Fuel Cell for Simultaneous Wastewater Treatment and Electricity Generation
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Advancing Chemistry Education with 3D Printed Tools
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Chemistry Microworlds
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