Computational insights into the sorption mechanism of polycyclic aromatic hydrocarbons by carbon nanotube through density functional theory calculation and molecular dynamics simulation-Reference-Cited by-同舟云学术

Computational insights into the sorption mechanism of polycyclic aromatic hydrocarbons by carbon nanotube through density functional theory calculation and molecular dynamics simulation

Published:2020-06 Issue: Volume:179 Page:109677
ISSN:0927-0256
Container-title:Computational Materials Science
language:en
Short-container-title:Computational Materials Science

Author:

Hu Baichun^ORCID,Gao Zisen,Wang Hanxun,Wang Jian^ORCID,Cheng Maosheng

Funder

National Natural Science Foundation of Liaoning province

Virtual Lab for Medicinal Chemistry Education of Liaoning province

Publisher

Elsevier BV

Subject

Computational Mathematics,General Physics and Astronomy,Mechanics of Materials,General Materials Science,General Chemistry,General Computer Science

Reference41 articles.

1. Polycyclic Aromatic Hydrocarbons: A Critical Review of Environmental Occurrence and Bioremediation

2. Alterations in platelet indices link polycyclic aromatic hydrocarbons toxicity to low-grade inflammation in preschool children

3. Pathway and Time-Resolved Benzo[a]pyrene Toxicity on Hepa1c1c7 Cells at Toxic and Subtoxic Exposure

4. Step by step procedures: Degradation of polycyclic aromatic hydrocarbons in potable water using photo-Fenton oxidation process

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