Molecular modelling of sorption processes of a range of diverse small organic molecules in Leonardite humic acid-Reference-Cited by-同舟云学术

Molecular modelling of sorption processes of a range of diverse small organic molecules in Leonardite humic acid

Published:2019-08-20 Issue: Volume: Page:
ISSN:1351-0754
Container-title:European Journal of Soil Science
language:en
Short-container-title:Eur J Soil Sci

Author:

Petrov Drazen¹^ORCID,Tunega Daniel²³^ORCID,Gerzabek Martin H.²,Oostenbrink Chris¹^ORCID

Affiliation:

1. Department of Material Sciences and Process Engineering, Institute of Molecular Modeling and Simulation; University of Natural Resources and Life Sciences Vienna; Vienna Austria

2. Department of Forest and Soil Sciences; Institute of Soil Research, University of Natural Resources and Life Sciences Vienna; Vienna Austria

3. School of Pharmaceutical Science and Technology, Tianjin University; Tianjin People's Republic of China

Funder

Austrian Science Fund

Vienna Science and Technology Fund

Publisher

Wiley

Subject

Soil Science

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1111/ejss.12868/fullpdf

Reference75 articles.

1. Interaction of polar and nonpolar organic pollutants with soil organic matter: Sorption experiments and molecular dynamics simulation;Ahmed;The Science of the Total Environment,2015

2. Characterization and structural modelling of humic substances in field soil displaying significant differences from previously proposed structures;Albers;European Journal of Soil Science,2008

3. Molecular dynamics simulations of water molecule-bridges in polar domains of humic acids;Aquino;Environmental Science and Technology,2011

4. Stabilizing capacity of water bridges in nanopore segments of humic substances: A theoretical investigation;Aquino;Journal of Physical Chemistry C,2009

5. The functionality of cation bridges for binding polar groups in soil aggregates;Aquino;International Journal of Quantum Chemistry,2011

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