Interactions of clay minerals with organic pollutants studied by means of computational methods

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Main Author: Moreno Rodríguez, Daniel (Author)
Other Authors: Scholtzová, Eva (Thesis advisor)
Format: Manuscript Book
Language:Slovak
English
Published: 2021
Subjects:
montmorillonit
čiastkové (parciálne) náboje
vodíková väzba
ab initio MD
beidellit
infračervené spektrá
teória funkcionálu hustoty (DFT)
atrazín
diurón
halloyzit
DDEC6
beidellite
montmorillonite
atrazine
diuron
infrared spectra
halloysite
Density Functional Theory
partial charges
hydrogen bond
Online Access:http://is.stuba.sk/zp/portal_zp.pl?podrobnosti=145770
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