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Reversible O–O Bond Scission and O₂ Evolution at MOF-supported Tetramanganese Clusters
The scission of the O–O bond in O2 and the formation of O–O bonds during the evolution of O2 in photosynthesis are the engines of …
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Reversible O–O Bond Scission and O₂ Evolution at MOF-supported Tetramanganese Clusters
Unraveling Polymer–Ion Interactions in Electrochromic Polymers for their Implementation in Organic Electrochemical Synaptic Devices
Owing to low-power, fast and highly adaptive operability, as well as scalability, electrochemical random-access memory (ECRAM) …
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Unraveling Polymer–Ion Interactions in Electrochromic Polymers for their Implementation in Organic Electrochemical Synaptic Devices
Assessing the Performance of Approximate Density Functional Theory on 95 Experimentally Characterized Fe(II) Spin Crossover Complexes
Spin crossover (SCO) complexes, which exhibit changes in spin state in response to external stimuli, have applications in molecular …
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Assessing the Performance of Approximate Density Functional Theory on 95 Experimentally Characterized Fe(II) Spin Crossover Complexes
Computational Discovery of Stable Metal-Organic Frameworks for Methane-to-Methanol Catalysis
The challenge of direct partial oxidation of methane to methanol has motivated the targeted search of metal–organic frameworks (MOFs) …
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Computational Discovery of Stable Metal-Organic Frameworks for Methane-to-Methanol Catalysis
Identifying Underexplored and Untapped Regions in the Chemical Space of Transition Metal Complexes
We survey over 230,000 crystallized mononuclear transition metal complexes (TMCs) to identify trends in preferred geometric structure …
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Identifying Underexplored and Untapped Regions in the Chemical Space of Transition Metal Complexes
SESAMI APP: An Accessible Interface for Surface Area Calculation of Materials from Adsorption Isotherms
Accurate characterization of surface area is critical for understanding a material’s properties and performance. The most widely used …
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SESAMI APP: An Accessible Interface for Surface Area Calculation of Materials from Adsorption Isotherms
Synthesis and Ring-opening Metathesis Polymerization of a Strained trans-Silacycloheptene and Single Molecule Mechanics of its Polymer
The cis- and trans-isomers of a silacycloheptene were selectively synthesized by the alkylation of a silyl dianion, a novel approach to …
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Synthesis and Ring-opening Metathesis Polymerization of a Strained trans-Silacycloheptene and Single Molecule Mechanics of its Polymer
A Database of Ultrastable MOFs Reassembled from Stable Fragments with Machine Learning Models
High-throughput screening of hypothetical metal-organic framework (MOF) databases can uncover new materials, but their stability in …
PDF Cite DOI arXiv MIT news
A Database of Ultrastable MOFs Reassembled from Stable Fragments with Machine Learning Models
1D Hybrid Semiconductor Silver 2,6-Difluorophenylselenolate
Organic–inorganic hybrid materials present new opportunities for creating low-dimensional structures with unique light–matter …
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1D Hybrid Semiconductor Silver 2,6-Difluorophenylselenolate
Emergence of a Proton Exchange-Based Isomerization and Lactonization Mechanism in the Plant Coumarin Synthase COSY
Plants contain rapidly evolving specialized metabolic enzymes to support the synthesis of a myriad of functionally diverse natural …
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Emergence of a Proton Exchange-Based Isomerization and Lactonization Mechanism in the Plant Coumarin Synthase COSY