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Updated: Jun 1, 2025

Preparation of SNS CobaltII Pincer Model Complexes of Liver Alcohol Dehydrogenase
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对3d金属 (II) 离子和 furan 离子之间形成的子-π/子-单一对复合物的计算洞察力

Bapan Saha1

  • 1Department of Chemistry, Handique Girls' College, Guwahati , 781001, Assam, India. bapan.chem@gmail.com.

Journal of molecular modeling
|January 20, 2025
PubMed
概括

这项研究研究了3d金属离子和之间的相互作用,揭示了稳定的复合物形成. 这些相互作用在气相中很强,但在乙醇和水等溶剂中会减弱.

关键词:
这是3D金属.一个单独的阴离子对.电离子-π 是一个在 DFT 方面,它是最重要的.美国国有银行 (NBO)在 NCI NCI 的基础上.在QTAIM中,QTAIM是QTAIM.

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