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Updated: Jul 11, 2026

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水相DFT洞察COOH功能化碳纳米管上的西普洛素吸附:能量,电子结构和信号原理

Khaldoun A Al-Sou'od1

  • 1Department of Chemistry, Al al-Bayt University, Mafraq, 25113, Jordan. khaldoun@aabu.edu.jo.

Journal of molecular modeling
|December 16, 2025
PubMed
概括

碳基功能化碳纳米管 (CNT-COOH) 有效地从水中去除西普洛素 (CIP). 计算研究显示了有利的结合和稳定性,证实了CNT-COOH作为药物污染的有希望的吸附剂.

关键词:
吸附方式 吸附方式 吸附方式碳纳米管 (CNTs) 是一种齐普罗夫洛克萨辛的使用方法反对权衡调整 (BSSE) 是指对权衡的调整.密度函数理论 (DFT) 是一种密度函数理论.分子静电电位 (MEP) 是指分子静电电位.自然键轨道 (NBO) 是一个自然键轨道.

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