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Updated: Jul 13, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

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表面连接体长度影响了多氧酸氧化物集群中H原子吸收的动力学

Chari Y M Peter1, Eric Schreiber1, Kathryn R Proe1

  • 1Department of Chemistry, University of Rochester, Rochester, NY 14627, USA. matson@chem.rochester.edu.

Dalton transactions (Cambridge, England : 2003)
|October 18, 2023
PubMed
概括

在氧化瓦纳集群上的氧化物连接体的长度不会影响原子转移热力学,但会显著影响反应动力学. 较短的甲氧化物配体加快了反应.

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