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Updated: Jun 7, 2025

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
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Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

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对于F- + SiH3I系统的自动潜在能量表面发展和准经典动态

Balázs J Molnár1, Attila Á Dékány1, Gábor Czakó1

  • 1MTA-SZTE Lendület "Momentum" Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary.

The Journal of chemical physics
|November 19, 2024
PubMed
概括

我们为F- + SiH3I反应开发了一个潜在能量表面. 模拟显示了与占主导地位的SN2和质子抽象途径的高反应性,为气相化学动力学提供了洞察力.

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Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry09:37

Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry

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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

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