Computational calculation identified optimal binding sites in nano-sized magnetic-cored dendrimer

Hye Ran Kim, Danil W. Boukhvalov, Soo Jin Lee, Jae Woo Park

Research output: Contribution to journalArticleResearchpeer-review

Original languageEnglish
Pages (from-to)287-295
Number of pages9
JournalChemosphere
Volume210
DOIs
Publication statusPublished - 1 Nov 2018

Fingerprint

Dendrimers
Heavy Metals
Binding Sites
Density functional theory
Metal ions
Heavy Ions
ion
heavy metal
Ions
Heavy ions
Hydrogen
Magnetite Nanoparticles
Molecular interactions
hydrogen
Hydrogen bonds
Metals
Oxygen
magnetite
Atoms
calculation

Keywords

  • Binding configuration
  • Dendrimer
  • Density functional theory
  • Heavy metal
  • Magnetite

ASJC Scopus subject areas

  • Chemistry(all)
  • Environmental Chemistry

WoS ResearchAreas Categories

  • Environmental Sciences

Cite this

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title = "Computational calculation identified optimal binding sites in nano-sized magnetic-cored dendrimer",
keywords = "Binding configuration, Dendrimer, Density functional theory, Heavy metal, Magnetite",
author = "Kim, {Hye Ran} and Boukhvalov, {Danil W.} and Lee, {Soo Jin} and Park, {Jae Woo}",
year = "2018",
month = "11",
day = "1",
doi = "10.1016/j.chemosphere.2018.06.174",
language = "English",
volume = "210",
pages = "287--295",
journal = "Chemosphere",
issn = "0045-6535",
publisher = "Elsevier",

}

Computational calculation identified optimal binding sites in nano-sized magnetic-cored dendrimer. / Kim, Hye Ran; Boukhvalov, Danil W.; Lee, Soo Jin; Park, Jae Woo.

In: Chemosphere, Vol. 210, 01.11.2018, p. 287-295.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - Computational calculation identified optimal binding sites in nano-sized magnetic-cored dendrimer

AU - Kim, Hye Ran

AU - Boukhvalov, Danil W.

AU - Lee, Soo Jin

AU - Park, Jae Woo

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KW - Dendrimer

KW - Density functional theory

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KW - Magnetite

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U2 - 10.1016/j.chemosphere.2018.06.174

DO - 10.1016/j.chemosphere.2018.06.174

M3 - Article

VL - 210

SP - 287

EP - 295

JO - Chemosphere

JF - Chemosphere

SN - 0045-6535

ER -