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Simulations of the Quartz(1011)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments
Facile synthesis of novel tannic acid‐coated CoCr 2 O 4 ‐decorated SiO 2 composite ( TA ‐ CoCr 2 O 4 @ SiO 2 ) for enhanced methylene blue removal from wastewater
Understanding small biomolecule‐biomaterial interactions: A review of fundamental theoretical and experimental approaches for biomolecule interactions with inorganic surfaces
Effect of pH and mobile phase additives on the chromatographic behaviour of an amide‐embedded stationary phase: Cyanocobalamin and its diaminemonochloro‐platinum(II) conjugate as a case study
Effect of Surface Hydroxyl Content of Support on the Activity of Cu/ZSM-5 Catalyst for Low-Temperature Hydrogenation of Dimethyl Oxalate to Ethylene Glycol
Green Synthesized SiO2 Nanoparticles from Hibiscus rosa sinensis Extract for Photocatalytic Pollutant Degradation from Textile Wastewater and Ecotoxicological Assessment
An experimental assessment of the ammonia temperature programmed desorption method for probing the surface acidic properties of heterogeneous catalysts
Effect of pH and monovalent cations on the Raman spectrum of water: Basics revisited and application to measure concentration gradients at water/solid interface in Si3N4 biomaterial
Study of microheterogeneity of silatrane-based silica surface bonding chemistry and its optimization for the synthesis of chiral stationary phases for enantioselective liquid chromatography
Correlation of pesticide ecotoxicity with clay mineral dispersion effect on adsorption and ozonation – An approach through impact assessment on Lemna minor
Atomistic mechanisms of reactive oxygen species generation via O2 adsorption and activation on corundum surfaces: implications for transition metal redox
Variations in Proton Transfer Pathways and Energetics on Pristine and Defect-Rich Quartz Surfaces in Water: Insights into the Bimodal Acidities of Quartz
On the adsorption and hydrodynamics behavior of H 2 S and CO 2 molecules in organic liquids inside nanoslit pores in vicinity of calcite {101¯4} surface
Mechanistic Understanding of Uranyl Ion Complexation on Montmorillonite Edges: A Combined First-Principles Molecular Dynamics–Surface Complexation Modeling Approach
Computing Surface Acidity Constants of Proton Hopping Groups from Density Functional Theory-Based Molecular Dynamics: Application to the SnO 2 (110)/H 2 O Interface
Structure and Dynamics of Water at the Water–Air Interface Using First-Principles Molecular Dynamics Simulations within Generalized Gradient Approximation
General Approach to Silica-Supported Salens and Salophens and Their Use as Catalysts for the Synthesis of Cyclic Carbonates from Epoxides and Carbon Dioxide
Competition between Displacement and Dissociation of a Strong Acid Compared to a Weak Acid Adsorbed on Silica Particle Surfaces: The Role of Adsorbed Water
Effect of Oxidation Level on the Interfacial Water at the Graphene Oxide–Water Interface: From Spectroscopic Signatures to Hydrogen-Bonding Environment
Molecular Signature of an Unexpected Hydrophobization of Silica Surfaces in Lead Nitrate Solutions as Detected by Sum Frequency Generation Spectroscopy
Bimodal Acidity at the Amorphous Silica/Water Interface
showing the first 200 of 462
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