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Updated: Jan 11, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

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

Published on: July 19, 2019

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一个多目标的QSAR模型,用于同时预测跨多个氧化系统的反应速率常数

Yawei Liu1, Zhiquan Wang1, Xiangyong Zheng1

  • 1School of Life and Environmental Science, Wenzhou University, Wenzhou, Zhejiang 325035, China; National & Local Joint Engineering Research Center for Ecological Treatment Technology of Urban Water Pollution, Wenzhou University, Wenzhou 325035, China; Zhejiang Provincial Engineering Laboratory of Ecological Treatment Technology for Urban Water Pollution, Wenzhou, Zhejiang 325035, China.

Journal of hazardous materials
|November 13, 2025
PubMed
概括

这项研究开发了一种多目标QSAR模型,以预测挥发性有机化合物 (VOC) 由基激素,臭氧和基激素的化学降解率. 该模型准确地估计了大气寿命和暴露风险.

关键词:
多个目标的QSAR.反应速率常数反应速率常数挥发性有机化合物 挥发性有机化合物

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