Every reference with a DOI in the deposited reference list resolved to a known
work in Crossref or DataCite at the dated check, and none carried a retraction,
withdrawal, or removal notice.
The 81 checked references that resolve
resolves10.1021/jp810216bDensity Functional Theory Comparison of Water Dissociation Steps on Cu, Au, Ni, Pd, and Pt
resolves10.1016/j.susc.2005.04.024Molecularly intact and dissociative adsorption of water on clean Cu(110): A comparison with the water/Ru(001) system
resolves10.1021/jp073681uBridging the Pressure Gap in Water and Hydroxyl Chemistry on Metal Surfaces: The Cu(110) Case
resolves10.1016/j.jcat.2006.07.034A systematic theoretical study of water dissociation on clean and oxygen-preadsorbed transition metals
resolves10.1021/jp105180dBehaviors of Monomer H<sub>2</sub>O on the Cu(111) Surface under Surface Charges
resolves10.1021/ja061947pAtomic Structure and Bonding of Water Overlayer on Cu(110): The Borderline for Intact and Dissociative Adsorption
resolves10.1080/00268970410001723073A density functional theory study on the water formation at high coverages and the water effect in the Fischer–Tropsch synthesis
resolves10.1021/ct049955oAdsorption of Water Molecules on Flat and Stepped Nickel Surfaces from First Principles
resolves10.1063/1.2717172Comparative study of water dissociation on Rh(111) and Ni(111) studied with first principles calculations
resolves10.1063/1.3125002Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces
resolves10.1021/ja003576xCatalytic Water Formation on Platinum: A First-Principles Study
resolves10.1063/1.474008Orientational ordering of two-dimensional ice on Pt(111)
resolves10.1103/PhysRevB.73.115414Growth of intact water ice on<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>Ru</mml:mi><mml:mo>(</mml:mo><mml:mn>0001</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>between 140 and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mn>160</mml:mn><mml:mspace width="0.3em"/><mml:mi mathvariant="normal">K</mml:mi></mml:mrow></mml:math>: Experiment and density-functional theory calculations
resolves10.1021/jp046475kAdsorption, Diffusion, and Dissociation of H<sub>2</sub>S on Fe(100) from First Principles
resolves10.1021/jp0722206Density Functional Theory and Kinetic Studies of Methanation on Iron Surface
resolves10.1021/jp303684yDissociative Adsorption and Aggregation of Water on the Fe(100) Surface: A DFT Study
resolves10.1021/jp3097814Dissociation of Water at Iron Surfaces: Generalized Gradient Functional and Range-Separated Hybrid Functional Study
resolves10.1016/0927-0256(96)00008-0Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
resolves10.1103/PhysRevB.54.11169Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set
resolves10.1103/PhysRevB.77.155424Dissociative adsorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>molecules on O-precovered Fe(110) and Fe(100): Density-functional calculations
resolves10.1002/jcc.20495Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
resolves10.1063/1.1329672A climbing image nudged elastic band method for finding saddle points and minimum energy paths
resolves10.1021/jp051907sSurface Structure and Energetics of Hydrogen Adsorption on the Fe(111) Surface
resolves10.1021/jp066575lDensity Functional Theory Study of CO and Hydrogen Co-adsorption on the Fe(111) Surface
resolves10.1021/jp4103367High Coverage CO Activation Mechanisms on Fe(100) from Computations
resolves10.1021/jp410635zHydrogen Adsorption Structures and Energetics on Iron Surfaces at High Coverage
resolves10.1021/cs500287rCoverage-Dependent CO Adsorption and Dissociation Mechanisms on Iron Surfaces from DFT Computations
resolves10.1021/jp506794wCopper Promotion in CO Adsorption and Dissociation on the Fe(100) Surface
resolves10.1021/jp504791zAdsorption Structures and Energies of Cu<sub><i>n</i></sub> Clusters on the Fe(110) and Fe<sub>3</sub>C(001) Surfaces
resolves10.1103/PhysRevB.65.035406Composition, structure, and stability of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">RuO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mn/><mml:mo>(</mml:mo><mml:mn>110</mml:mn><mml:mo>)</mml:mo><mml:mn/></mml:math>as a function of oxygen pressure
resolves10.1103/PhysRevB.68.045407Composition and structure of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">RuO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mn/><mml:mo>(</mml:mo><mml:mn>110</mml:mn><mml:mo>)</mml:mo><mml:mn/></mml:math>surface in an<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and CO environment: Implications for the catalytic formation of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
resolves10.1103/PhysRevB.68.165412Insights into the function of silver as an oxidation catalyst by<i>ab initio</i>atomistic thermodynamics
resolves10.1021/jp109264bPeriodic Density Functional Theory and Atomistic Thermodynamic Studies of Cobalt Spinel Nanocrystals in Wet Environment: Molecular Interpretation of Water Adsorption Equilibria
resolves10.1021/jp3050059Periodic DFT Study of the Tetragonal ZrO<sub>2</sub> Nanocrystals: Equilibrium Morphology Modeling and Atomistic Surface Hydration Thermodynamics
resolves10.1021/jp205950xStability of β-Mo<sub>2</sub>C Facets from ab Initio Atomistic Thermodynamics
resolves10.1021/jp300422gAdsorption Equilibria of CO Coverage on β-Mo<sub>2</sub>C Surfaces
resolves10.1063/1.465599<i>Ab</i> <i>initio</i> studies of cyclic water clusters (H2O)<i>n</i>, <i>n</i>=1–6. I. Optimal structures and vibrational spectra
resolves10.1063/1.466846<i>Ab initio</i> studies of cyclic water clusters (H2O)<i>n</i>, <i>n</i>=1–6. II. Analysis of many-body interactions
resolves10.1063/1.469499<i>Ab initio</i> studies of cyclic water clusters (H2O)<i>n</i>, <i>n</i>=1–6. III. Comparison of density functional with MP2 results
resolves10.1021/cr990054vInfrared Spectroscopy of Size-Selected Water and Methanol Clusters
resolves10.1021/jp013141bStructure and Stability of Water Clusters (H<sub>2</sub>O)<i><sub>n</sub></i>, <i>n</i> = 8−20: An Ab Initio Investigation
resolves10.1021/jp106469xImproved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections
checked 2026-07-23 — re-checked daily as this page is visited;
titles and statuses come from Crossref and DataCite and are not part of the signed record
Both snippets point at the live badge image and link back to this page. The
badge re-renders from the daily check, so an embed never goes stale by more than a day of visits.