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

Influence of heating on the solid acidity of montmorillonite: A combined study by DRIFT and Hammett indicators

(2011) Dong Liu et al.   APPLIED CLAY SCIENCE

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

Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects

(2010) Katrin Tonigold et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum Chemical Modeling of Benzene Ethylation over H-ZSM-5 Approaching Chemical Accuracy: A Hybrid MP2:DFT Study

(2010) Niels Hansen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Physisorption of aromatic organic contaminants at the surface of hydrophobic/hydrophilic silica geosorbents: a B3LYP-D modeling study

(2010) Albert Rimola et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure and Energetics of Azobenzene on Ag(111): Benchmarking Semiempirical Dispersion Correction Approaches

(2010) G. Mercurio et al.   PHYSICAL REVIEW LETTERS

Role of dispersive interactions in layered materials: a periodic B3LYP and B3LYP-D* study of Mg(OH)2, Ca(OH)2 and kaolinite

(2009) Piero Ugliengo et al.   JOURNAL OF MATERIALS CHEMISTRY

Affinity Scale for the Interaction of Amino Acids with Silica Surfaces

(2009) Albert Rimola 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

Back matter

(2008)   CRYSTENGCOMM

Benchmark database on isolated small peptides containing an aromatic side chain: comparison between wave function and density functional theory methods and empirical force field

(2008) Haydee Valdes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS