数据链接:
官方服务:
资源简介:
Data, parameters, scripts, and software tools used in de novo design of ruthenium catalyst for olefin metathesis.
应用场景:
创建时间:
2023-03-23
相关数据集
Computational Discovery of Stable Transition-Metal Vinylidene Complexes
Experimental results have long suggested that catalyst optimization is an inherently multivariate process, requiring the screening of reaction conditions (temperature, pressure, solvents, precursors,
NIAID Data Ecosystem60
Goldilocks Effect of a Distal Substituent on Living Ziegler−Natta Polymerization Activity and Stereoselectivity within a Class of Zirconium Amidinate-Based Initiators
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
NIAID Data Ecosystem50
Structural Analysis of Non-native Peptide-Based Catalysts Using 2D NMR-Guided MD Simulations
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
Figshare20
Mechanistically Designed Dual-Site Catalysts for the Alternating ROMP of Norbornene and Cyclooctene
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,
NIAID Data Ecosystem50
Polyoxometalate-Based Cobalt–Phosphate Molecular Catalysts for Visible Light-Driven Water Oxidation
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
NIAID Data Ecosystem50



