Theoretical study of the atrazine pesticide interaction with pyrophyllite and Ca2+-montmorillonite clay surfaces

Geometrical and Electronic Properties of Hydrated Sodium Montmorillonite and Tetracycline Montmorillonite from DFT Calculations

(2015) Silvina Pirillo et al.   Journal of Physical Chemistry C

TyPol – A new methodology for organic compounds clustering based on their molecular characteristics and environmental behavior

(2014) Rémi Servien et al.   CHEMOSPHERE

Adsorption of two phenoxyacid compounds on a clay surface: a theoretical study

(2013) J. P. Prates Ramalho et al.   ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

Structural Behaviors of Cytosine into the Hydrated Interlayer of Na+-Montmorillonite Clay. An ab Initio Molecular Dynamics Study

(2013) Pierre Mignon et al.   Journal of Physical Chemistry C

Interstratification Patterns from the pH-Dependent Intercalation of a Tetracycline Antibiotic within Montmorillonite Layers

(2013) Ludmilla Aristilde et al.   LANGMUIR

Pesticide interaction with environmentally important cations: A theoretical study of atrazine in interaction with two Ca2+ cations

(2013) Fabienne Bessac et al.   Computational and Theoretical Chemistry

Assessment of ten DFT methods in predicting structures of sheet silicates: Importance of dispersion corrections

(2012) Daniel Tunega et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption of l-DOPA Intercalated in Hydrated Na-Saponite Clay: A Combined Experimental and Theoretical Study

(2012) Khaled El Adraa et al.   Journal of Physical Chemistry C

Density Functional Theory Study of Pyrophyllite and M-Montmorillonites (M = Li, Na, K, Mg, and Ca): Role of Dispersion Interactions

(2011) Vamsee K. Voora et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Adsorption of thymine and uracil on 1 : 1 clay mineral surfaces: comprehensive ab initio study on influence of sodium cation and water

(2011) A. Michalkova et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical study of the adsorption of DNA bases on the acidic external surface of montmorillonite

(2011) Pierre Mignon et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Pesticide interaction with environmentally important cations: A theoretical study of atrazine

(2011) Fabienne Bessac et al.   Computational and Theoretical Chemistry

Water Adsorption at a Sodium Smectite Clay Surface: an Ab Initio Study of the First Stage

(2009) Pascal Clausen et al.   Journal of Physical Chemistry C

Adsorption of Low-Molecular-Weight Molecules on a Dry Clay Surface: An Ab Initio Study

(2009) Pascal Clausen et al.   Journal of Physical Chemistry C

Theoretical Study of the Adsorption of RNA/DNA Bases on the External Surfaces of Na+-Montmorillonite

(2009) Pierre Mignon et al.   Journal of Physical Chemistry C

Ab initio molecular dynamics study of the hydration of Li+, Na+ and K+ in a montmorillonite model. Influence of isomorphic substitution

(2009) Pierre Mignon et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Use of modified montmorillonites to reduce herbicide leaching in sports turf surfaces: Laboratory and field experiments

(2008) L. Cornejo et al.   APPLIED CLAY SCIENCE

Integrated testing and intelligent assessment—new challenges under REACH

(2008) Jan Ahlers et al.   ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH

Sorption and desorption of non-ionic herbicides onto particulate organic matter from surface soils under different land uses

(2007) P. Benoit et al.   EUROPEAN JOURNAL OF SOIL SCIENCE

Interactions of aminomethylphosphonic acid and sarcosine with montmorillonite interlayer surfaces

(2007) Amanda Rennig et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY