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Computation of Large Systems with Economic Basis Set: Simulation of DiamondMetallization Using Titanium
Preparation of Polycrystalline TiO2 Photocatalysts Impregnated with Various TransitionMetal Ions: Characterization and Photocatalytic Activity for the Degradation of4-Nitrophenol
On the Preferential Location of Al and Proton Siting in Zeolites: A Computational andInfrared Study
Electrocatalysis of Guanine Oxidation in Polyethylene Glycol Solutions: The Interplay ofAdsorption and Reaction Rate
Oscillating Crystallization in Solution between (+)- and (−)-5-Ethyl-5-methylhydantoinunder the Influence of Stirring
Hydration Water and Swelling Behavior of Magadiite. The H+, Na+, K+, Mg2+, and Ca2+Exchanged Forms
Refolding of Thermally Denatured Bacteriorhodopsin in Purple Membrane
Molecular Tracer Dynamics in Crystalline Organic Films at the Solid−Liquid Interface
Periodic Density Functional Study of CO and OH Adsorption on Pt−Ru Alloy Surfaces: Implications for CO Tolerant Fuel Cell Catalysts
Perturbing the Sequestered Water-Pool in Microemulsions: The Role of the Probe inAffecting Reverse Micelle Equilibria
A View of the Hydrophobic Effect
On the Existence of Different Zeolite-Associated Topological Redox Isomers.Electrochemistry of the Y Zeolite-Associated Mn(Salen)N3 Complex
An NMR and Ionic Conductivity Study of Ion Dynamics in Liquid Poly(ethyleneoxide)-Based Electrolytes Doped with LiN(SO2CF3)2
Substituent Effects upon Protonation-Induced Red Shift of Phenyl−Pyridine Copolymers
De Novo Design of a Cytochrome b Maquette for Electron Transfer and Coupled Reactionson Electrodes
Hybrid Density-Functional Calculations of the Reactions of a H2 Molecule on C, Si, andGe(001) Surfaces
Photoionization of Methylphenothiazine in Palladium Ion-Exchanged SAPO-5 and SAPO-11Silicoaluminophosphate Microporous Materials at Room Temperature
Protein Sequence Design by Energy Landscaping
Theoretical Determination of Two Structural Forms of the Active Site inCadmium-Containing Phosphotriesterases
Atomic Groove Effect of Aligned Poly(tetrafluoroethylene) Surfaces upon Oriented Growthof Linear Dye Molecules
Modulation Crack Growth and Crack Coalescence upon Langmuir Monolayer Collapse
Inhomogeneity of Mixing in Acetonitrile Aqueous Solution Studied by Small-Angle X-rayScattering
A Theoretical Analysis of the Sum Frequency Generation Spectrum of the Water Surface.II. Time-Dependent Approach
Structure and Molecular Dynamics of Alkane Monolayers Self-Assembled on Mica Platelets
Formation Mechanism of Hydrogenated Silicon Clusters during Thermal Decomposition ofDisilane
Hydrogen-Induced Chemical Erosion of Amorphous Hydrogenated Carbon Thin Films: Structure and Reactivity
Photochemical and Photoorientational Behavior of Liquid Crystalline CarbosilaneDendrimer with Azobenzene Terminal Groups
Role of R in Bi2RNbO7 (R = Y, Rare Earth): Effect on Band Structure and PhotocatalyticProperties
Effect of Coadsorbed Species and Temperature on Competitive Reaction Channels forNascent Radicals: c-C3H7CH2SH on Mo(110)−(6 × 1)-O
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