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Updated: Jul 17, 2025

Synthesis of 1,2-Azaborines and the Preparation of Their Protein Complexes with T4 Lysozyme Mutants
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Published on: March 25, 2017

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使用电子定位函数在4-基基酸与aza捐赠者的共晶体中的物理结合能

Mayura Talwelkar Shimpi1,2, Muhammad Sajjad1,3, Sven Öberg1

  • 1Applied Physics, Division of Materials Science, Department of Engineering Sciences and Mathematics, Luleå University of Technology, SE-97187 Luleå, Sweden.

Journal of physics. Condensed matter : an Institute of Physics journal
|September 2, 2023
PubMed
概括

这项研究引入了一种新方法,用于直接从散装模拟中使用电子定位函数 (ELF) 分析计算共晶体中的结合能,简化了以前对酸材料的集群模型方法.

关键词:
十一点 十一点 十一点结合能量是一种约束能量.共同晶体的共同晶体是什么分散纠正 DFT 的分散.通过键形成键.格子能量的格子能量的能量.

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