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Updated: Sep 19, 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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古典化学动力学模拟了二甲基碳酸和二甲基乙烯的热单分子分解

Saptarshi Sarkar1, Manikandan Paranjothy1

  • 1Department of Chemistry, Indian Institute of Technology Jodhpur, Jodhpur 342030, Rajasthan, India.

The journal of physical chemistry. A
|June 19, 2025
PubMed
概括

二甲基碳酸盐 (DMC) 的分解产生二甲基乙烯 (DME) 和二氧化碳. 新的研究揭示了一种高温途径,从DMC中产生CH2和碳酸单甲基 (CAME),与DME解离产物不同.

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