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Physical Chemistry Chemical Physics : PCCP|December 21, 2017
Unravelling the nature of glyphosate binding to goethite surfaces by ab initio molecular dynamics simulationsAshour A Ahmed, Peter Leinweber, Oliver Kühn
The Science of the Total Environment|November 10, 2012
Controlled experimental soil organic matter modification for study of organic pollutant interactions in soilAshour A Ahmed, Oliver Kühn, Peter Leinweber
The Science of the Total Environment|May 8, 2023
Advances in understanding the phosphate binding to soil constituents: A Computational Chemistry perspectiveAshour A Ahmed, Peter Leinweber, Oliver Kühn
Physical Chemistry Chemical Physics : PCCP|September 19, 2019
QM/MM simulations of organic phosphorus adsorption at the diaspore-water interfacePrasanth B Ganta, Oliver Kühn, Ashour A Ahmed
Journal of Chemical Theory and Computation|June 4, 2024
Martini-Based Coarse-Grained Soil Organic Matter Model Derived from Atomistic SimulationsLorenz F Dettmann, Oliver Kühn, Ashour A Ahmed
Molecules (Basel, Switzerland)|January 5, 2021
Ab Initio Molecular Dynamics Simulations of the Interaction between Organic Phosphates and GoethitePrasanth B Ganta, Oliver Kühn, Ashour A Ahmed
The Journal of Physical Chemistry. B|October 23, 2025
Coarse-Grained Simulations of the Nanoplastic Interaction with Soil Organic MatterLorenz F Dettmann, Oliver Kühn, Ashour A Ahmed
Journal of Chemical Theory and Computation|November 29, 2024
Automated Parametrization Approach for Coarse-Graining Soil Organic Matter MoleculesLorenz F Dettmann, Oliver Kühn, Ashour A Ahmed
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