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Updated: Jul 23, 2025

Spatial Separation of Molecular Conformers and Clusters
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Published on: January 9, 2014

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在不同的溶剂条件下,印醇和二甲之间存在非共价相互作用的证据

Jamelah S Al-Otaibi1, Y Sheena Mary2, Y Shyma Mary2

  • 1Department of Chemistry, College of Science, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia. jamelah2019@rediffmail.com.

Journal of molecular modeling
|July 13, 2023
PubMed
概括

这项研究使用密度函数理论来研究各种溶剂中的醇和二甲相互作用. 印醇与二甲的复合改变了光谱特性和分子电子分布,印醇在水和甲醇中最稳定.

关键词:
结合能量是有约束力的.在 DFT 方面,它是最重要的.通过气结合,形成了气结合.印度尔 (Indole) 是一种模拟MDMD的模拟

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