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Hydrogen Bonds and Vibrations of Water on (110) Rutile

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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nMoldyn: A program package for a neutron scattering oriented analysis of molecular dynamics simulations
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Thin Film Water on Insulator Surfaces
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First-principles molecular dynamics simulation of water dissociation on TiO2 (110)
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The adsorption of H2O on TiO2 and SnO2(110) studied by first-principles calculations
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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Mixed dissociated/molecular monolayer of water on the TiO2(011)-(2×1) surface
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Structure of rutile TiO2 (110) in water and 1molal Rb+ at pH 12: Inter-relationship among surface charge, interfacial hydration structure, and substrate structural displacements
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The adsorption and dissociation of ROH molecules on TiO2(110)
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The interaction of water with solid surfaces: fundamental aspects revisited
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The surface science of titanium dioxide
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Dynamics in liquid water, water-d2, and water-t2: a comparative simulation study
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The missing term in effective pair potentials
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THE ADSORPTION OF GASES ON PLANE SURFACES OF GLASS, MICA AND PLATINUM.
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Derivation of Force Field Parameters for TiO2−H2O Systems from ab Initio Calculations
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Electric Double Layer at the Rutile (110) Surface. 1. Structure of Surfaces and Interfacial Water from Molecular Dynamics by Use of ab Initio Potentials
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Ultraviolet Light-Induced Hydrophilicity Effect on TiO2(110)(1×1). Dominant Role of the Photooxidation of Adsorbed Hydrocarbons Causing Wetting by Water Droplets
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Dynamics and Structure of Hydration Water on Rutile and Cassiterite Nanopowders Studied by Quasielastic Neutron Scattering and Molecular Dynamics Simulations
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In Situ, Continuous Monitoring of the Photoinduced Superhydrophilic Effect: Influence of UV-Type and Ambient Atmospheric and Droplet Composition
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Dynamics of Water Confined on a TiO2 (Anatase) Surface
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Comparisons of Multilayer H2O Adsorption onto the (110) Surfaces of α-TiO2 and SnO2 as Calculated with Density Functional Theory
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Molecular Chemisorption on TiO2(110): A Local Point of View
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Surface Protonation at the Rutile (110) Interface: Explicit Incorporation of Solvation Structure within the Refined MUSIC Model Framework
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Hydrogen-bond kinetics in liquid water
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Light-induced amphiphilic surfaces
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Ab initio simulation of molecular processes on oxide surfaces
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Computing memory functions from molecular dynamics simulations
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Multilayer water adsorption on rutile TiO2(110): A first-principles study
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Towards a first-principles picture of the oxide–water interface
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Relevance of hydrogen bond definitions in liquid water
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An alternative near-neighbor definition of hydrogen bonding in water
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The General Utility Lattice Program ( GULP )
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Inhomogeneous Electron Gas
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Self-Consistent Equations Including Exchange and Correlation Effects
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Ab initio molecular dynamics for liquid metals
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Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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Projector augmented-wave method
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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From ultrasoft pseudopotentials to the projector augmented-wave method
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Exothermic water dissociation on the rutile TiO2(110) surface
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Effect of Environment on Hydrogen Bond Dynamics in Liquid Water
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Generalized Gradient Approximation Made Simple
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inferredcites →https://doi.org/10.1103/physrevlett.80.762openalex-snapshot
Mixed Dissociative and Molecular Adsorption of Water on the Rutile (110) Surface
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Molecular Chemisorption as the Theoretically Preferred Pathway for Water Adsorption on Ideal Rutile TiO2(110)
inferredcites →https://doi.org/10.1103/physrevlett.95.029601openalex-snapshot
Comment on “Molecular Chemisorption as the Theoretically Preferred Pathway for Water Adsorption on Ideal Rutile TiO2(110) ”
inferredcites →https://doi.org/10.1103/physrevlett.95.029602openalex-snapshot
Harris and Quong Reply:
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Adsorption Bond Length for H2O on TiO2(110) : A Key Parameter for Theoretical Understanding
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Hydrogen Bonding, H-D Exchange, and Molecular Mobility in Thin Water Films on TiO2(110)

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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