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November 2016 |
Calcium carbonate nucleation driven by ion binding in a biomimetic matrix revealed by in situ electron microscopy
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January 2015 |
Graphene, related two-dimensional crystals, and hybrid systems for energy conversion and storage
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January 2015 |
Bioinspired structural materials
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October 2014 |
Liquid Exfoliation of Layered Materials
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June 2013 |
Simulations of inorganic–bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities
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January 2016 |
The golden age: gold nanoparticles for biomedicine
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January 2012 |
Nanoparticle decoration with surfactants: Molecular interactions, assembly, and applications
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February 2017 |
Compositional engineering of perovskite materials for high-performance solar cells
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January 2015 |
Co3O4 nanocubes homogeneously assembled on few-layer graphene for high energy density lithium-ion batteries
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January 2015 |
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February 2013 |
High-performance transition metal-doped Pt3Ni octahedra for oxygen reduction reaction
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June 2015 |
Controlling Structure and Porosity in Catalytic Nanoparticle Superlattices with DNA
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January 2015 |
Enhanced efficacy of chemotherapy for breast cancer stem cells by simultaneous suppression of multidrug resistance and antiapoptotic cellular defense
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December 2015 |
Chemically Specific Multiscale Modeling of Clay-Polymer Nanocomposites Reveals Intercalation Dynamics, Tactoid Self-Assembly and Emergent Materials Properties
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December 2014 |
Organic–Inorganic Hybrid Nanocomposite-Based Gas Sensors for Environmental Monitoring
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May 2015 |
Cleavage Energy of Alkylammonium-Modified Montmorillonite and Relation to Exfoliation in Nanocomposites: Influence of Cation Density, Head Group Structure, and Chain Length
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February 2010 |
Towards an exact description of electronic wavefunctions in real solids
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December 2012 |
Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field
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January 2013 |
ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation
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February 2008 |
Force Field for Mica-Type Silicates and Dynamics of Octadecylammonium Chains Grafted to Montmorillonite
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November 2005 |
Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution
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April 2014 |
Force Field for Tricalcium Silicate and Insight into Nanoscale Properties: Cleavage, Initial Hydration, and Adsorption of Organic Molecules
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April 2013 |
Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials
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October 2008 |
Accurate Force Field Parameters and pH Resolved Surface Models for Hydroxyapatite to Understand Structure, Mechanics, Hydration, and Biological Interfaces
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February 2016 |
Atomic Charges for Classical Simulations of Polar Systems
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November 2004 |
Surface energies, work functions, and surface relaxations of low-index metallic surfaces from first principles
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December 2009 |
Density functional study of CO and NO adsorption on Ni-doped MgO(100)
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March 2010 |
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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July 2007 |
Three-dimensional coordinates of individual atoms in materials revealed by electron tomography
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September 2015 |
Interatomic potentials for SiO2
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January 1984 |
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
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January 2004 |
The missing term in effective pair potentials
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November 1987 |
A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
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May 2000 |
Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd−Au Bimetal Surfaces in Aqueous Solution
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July 2009 |
Crystallographic Recognition Controls Peptide Binding for Bio-Based Nanomaterials
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August 2011 |
Polarization at metal–biomolecular interfaces in solution
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June 2010 |
Facet Recognition and Molecular Ordering of Ionic Liquids on Metal Surfaces
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November 2013 |
Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: design rules for metal-binding molecules
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January 2011 |
Influence of the Shape of Nanostructured Metal Surfaces on Adsorption of Single Peptide Molecules in Aqueous Solution
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February 2012 |
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March 2015 |
Atomic-scale identification of Pd leaching in nanoparticle catalyzed C–C coupling: effects of particle surface disorder
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January 2015 |
Tailoring Molecular Specificity Toward a Crystal Facet: a Lesson From Biorecognition Toward Pt{111}
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January 2013 |
A Rational Biomimetic Approach to Structure Defect Generation in Colloidal Nanocrystals
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June 2014 |
Stability, surface features, and atom leaching of palladium nanoparticles: toward prediction of catalytic functionality
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January 2013 |
Elucidation of Peptide-Directed Palladium Surface Structure for Biologically Tunable Nanocatalysts
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May 2015 |
Exploiting Localized Surface Binding Effects to Enhance the Catalytic Reactivity of Peptide-Capped Nanoparticles
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July 2013 |
Structure, Interaction, and Dynamics of Au/Pd Bimetallic Nanoalloys Dispersed in Aqueous Ethylpyrrolidone, a Monomeric Moiety of Polyvinylpyrrolidone
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July 2016 |
Biomimetic Synthesis of Pd Nanocatalysts for the Stille Coupling Reaction
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April 2009 |
Surface free energies of solid metals: Estimation from liquid surface tension measurements
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January 1977 |
Self-Assembled Monolayers of Thiolates on Metals as a Form of Nanotechnology
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April 2005 |
Adsorption of biomolecules and polymers on silicates, glasses, and oxides: mechanisms, predictions, and opportunities by molecular simulation
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February 2016 |
The role of chemistry and pH of solid surfaces for specific adsorption of biomolecules in solution—accurate computational models and experiment
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May 2014 |
Chemistry of Aqueous Silica Nanoparticle Surfaces and the Mechanism of Selective Peptide Adsorption
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April 2012 |
Determination of the Charge Density of Silica Sols
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September 1957 |
Prediction of Specific Biomolecule Adsorption on Silica Surfaces as a Function of pH and Particle Size
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September 2014 |
Electron tomography at 2.4-ångström resolution
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March 2012 |
Three-dimensional imaging of dislocations in a nanoparticle at atomic resolution
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March 2013 |
Atomic electron tomography: 3D structures without crystals
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September 2016 |
Deciphering chemical order/disorder and material properties at the single-atom level
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February 2017 |
Mo–Si–B based coating for oxidation protection of SiC–C composites
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May 2012 |
Mo-Si-B Alloys for Ultrahigh-Temperature Structural Applications
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June 2012 |
Transient oxidation of Mo–Si–B alloys: Effect of the microstructure size scale
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September 2009 |
Equally sloped tomography with oversampling reconstruction
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August 2005 |
The Cation−π Interaction
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August 1997 |
The nature of .pi.-.pi. interactions
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July 1990 |
High-Accuracy Quantum Mechanical Studies of π−π Interactions in Benzene Dimers
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September 2006 |