Catalyst Design in Nitrate Removal

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水处理催化还原

催化剂设计

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Based on the volcano plot developed by Dr. Goldsmith group (Report linked in submission), we utilized DFT (density functional theory) calculations to search for bimetallic materials in the application of catalysts in aqueous nitrate removal. The calculations are conducted via the ...

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催化剂设计

交替开环复分解聚合

Mechanistic work on the olefin metathesis reaction by well-characterized ruthenium carbene complexes led to the rational design and synthesis of a modified, unsymmetrical “first-generation” catalyst,

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Polyoxometalate-Based Cobalt–Phosphate Molecular Catalysts for Visible Light-Driven Water Oxidation

水氧化催化

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A series of all-inorganic, abundant-metal-based, high-nuclearity cobalt–phosphate (Co–Pi) molecular catalysts [{Co4(OH)3(PO4)}4(SiW9O34)4]32– (1), [{Co4(OH)3(PO4)}4(GeW9O34)4]32– (2), [{Co4(O

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Structural Analysis of Non-native Peptide-Based Catalysts Using 2D NMR-Guided MD Simulations

催化剂设计

肽基催化剂模拟

Proteins and enzymes generally achieve their functions by creating well-defined 3D architectures that pre-organize reactive functionalities. Mimicking this approach to supramolecular pre-organization

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Goldilocks Effect of a Distal Substituent on Living Ziegler−Natta Polymerization Activity and Stereoselectivity within a Class of Zirconium Amidinate-Based Initiators

立体选择性聚合

催化剂设计

A new series of cationic zirconium amidinates, [(η5-C5Me5)ZrMe{N(Et)C(R3)N(tBu)}][B(C6F5)4] (R3 = Me, H, Ph, and tBu) (1a−d), were synthesized and their ability to function as initiators for the stere

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Yttrium Phosphasalen Initiators for rac-Lactide Polymerization: Excellent Rates and High Iso-Selectivities

立体选择性聚合

催化剂设计

Highly active yttrium phosphasalen initiators for the stereocontrolled ring-opening polymerization of rac-lactide are reported. The initiators are coordinated by a new class of ancillary ligand: an im

Figshare2016-02-20 更新20

Catalyst Design in Nitrate Removal

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