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Photoactivity of Molecule–TiO2 Clusters with Time-Dependent Density-Functional Theory

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What this work says

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

inferredcites →https://doi.org/10.1016/j.chemphys.2006.10.018openalex-snapshot
Interaction of photoactive catechol with TiO2 anatase (101) surface: A periodic density functional theory study
inferredcites →https://doi.org/10.1016/j.comptc.2011.01.010openalex-snapshot
Direct vs. indirect mechanisms for electron injection in DSSC: Catechol and alizarin
inferredcites →https://doi.org/10.1016/j.cplett.2004.06.011openalex-snapshot
A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
inferredcites →https://doi.org/10.1016/j.cplett.2005.03.029openalex-snapshot
Density functional study of the TiO2–dopamine complex
inferredcites →https://doi.org/10.1016/s0022-3093(96)00311-0openalex-snapshot
Surface modification of TiO2 nanoparticles with bidentate ligands studied by EPR spectroscopy
inferredcites →https://doi.org/10.1021/cr500055qopenalex-snapshot
Theoretical Studies on Anatase and Less Common TiO2Phases: Bulk, Surfaces, and Nanomaterials
inferredcites →https://doi.org/10.1021/cr500072jopenalex-snapshot
Structural Characteristics and Mechanical and Thermodynamic Properties of Nanocrystalline TiO2
inferredcites →https://doi.org/10.1021/cr5000893openalex-snapshot
Probing the Optical Property and Electronic Structure of TiO2Nanomaterials for Renewable Energy Applications
inferredcites →https://doi.org/10.1021/cr500422ropenalex-snapshot
Introduction: Titanium Dioxide (TiO2) Nanomaterials
inferredcites →https://doi.org/10.1021/ct4010273openalex-snapshot
Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description
inferredcites →https://doi.org/10.1021/ct500787xopenalex-snapshot
Describing Excited State Relaxation and Localization in TiO2 Nanoparticles Using TD-DFT
inferredcites →https://doi.org/10.1021/ja052798yopenalex-snapshot
A Spectroscopic and Electrochemical Approach to the Study of the Interactions and Photoinduced Electron Transfer between Catechol and Anatase Nanoparticles in Aqueous Solution
inferredcites →https://doi.org/10.1021/ja200001ropenalex-snapshot
Growth and Organization of an Organic Molecular Monolayer on TiO2: Catechol on Anatase (101)
inferredcites →https://doi.org/10.1021/ja803595uopenalex-snapshot
Correlation between Bonding Geometry and Band Gap States at Organic−Inorganic Interfaces: Catechol on Rutile TiO2(110)
inferredcites →https://doi.org/10.1021/ja808277uopenalex-snapshot
SERS of Semiconducting Nanoparticles (TiO 2 Hybrid Composites)
inferredcites →https://doi.org/10.1021/jp021235vopenalex-snapshot
Surface Restructuring of Nanoparticles: An Efficient Route for Ligand−Metal Oxide Crosstalk
inferredcites →https://doi.org/10.1021/jp0303669openalex-snapshot
Computational Studies of Catechol and Water Interactions with Titanium Oxide Nanoparticles
inferredcites →https://doi.org/10.1021/jp034935oopenalex-snapshot
Comparison of Electron Transfer Dynamics in Molecule-to-Nanoparticle and Intramolecular Charge Transfer Complexes
inferredcites →https://doi.org/10.1021/jp046342zopenalex-snapshot
Electronic Structure and Spectra of Catechol and Alizarin in the Gas Phase and Attached to Titanium
inferredcites →https://doi.org/10.1021/jp0521914openalex-snapshot
Structure and Stability of Small TiO 2 Nanoparticles
inferredcites →https://doi.org/10.1021/jp056607popenalex-snapshot
Theoretical Study of the Electronic Structure and Stability of Titanium Dioxide Clusters (TiO2)n with n = 1−9
inferredcites →https://doi.org/10.1021/jp104372jopenalex-snapshot
Electronic and Optical Properties of Doped and Undoped (TiO 2 ) n Nanoparticles
inferredcites →https://doi.org/10.1021/jp2050349openalex-snapshot
Theoretical Investigation of the Hydrogenation of (TiO2)NClusters (N= 1–10)
inferredcites →https://doi.org/10.1021/jp410781yopenalex-snapshot
Probing Raman Enhancement in a Dopamine–Ti2O4 Hybrid Using Stretched Molecular Geometries
inferredcites →https://doi.org/10.1021/jp506156eopenalex-snapshot
Dopamine Adsorption on TiO2 Anatase Surfaces
inferredcites →https://doi.org/10.1021/jp800170qopenalex-snapshot
Molecular Structures and Energetics of the (TiO 2 ) n ( n = 1−4) Clusters and Their Anions
inferredcites →https://doi.org/10.1021/jp802851qopenalex-snapshot
Reactivity of (TiO2)N Clusters (N = 1−10): Probing Gas-Phase Acidity and Basicity Properties
inferredcites →https://doi.org/10.1021/jp901465qopenalex-snapshot
Is There a Nanosize for the Activity of TiO2 Compounds?
inferredcites →https://doi.org/10.1021/jz200191uopenalex-snapshot
Simulating Dye-Sensitized TiO2 Heterointerfaces in Explicit Solvent: Absorption Spectra, Energy Levels, and Dye Desorption
inferredcites →https://doi.org/10.1021/la00060a018openalex-snapshot
Surface complexation of colloidal semiconductors strongly enhances interfacial electron-transfer rates
inferredcites →https://doi.org/10.1021/la1016092openalex-snapshot
Dopamine Adsorption on Anatase TiO2(101): A Photoemission and NEXAFS Spectroscopy Study
inferredcites →https://doi.org/10.1038/238037a0openalex-snapshot
Electrochemical Photolysis of Water at a Semiconductor Electrode
inferredcites →https://doi.org/10.1039/b719098kopenalex-snapshot
Adsorption of small organic molecules on anatase and rutile surfaces: a theoretical study
inferredcites →https://doi.org/10.1039/c0cp00906gopenalex-snapshot
Electronic structure and optical spectra of catechol on TiO 2 nanoparticles from real time TD-DFT simulations
inferredcites →https://doi.org/10.1039/c0cp02170aopenalex-snapshot
Reactivity of stoichiometric titanium oxide cations
inferredcites →https://doi.org/10.1039/c4cp00097hopenalex-snapshot
Experimental and theoretical studies of H 2 O oxidation by neutral Ti 2 O 4,5 clusters under visible light irradiation
inferredcites →https://doi.org/10.1063/1.1558471openalex-snapshot
Natural transition orbitals
inferredcites →https://doi.org/10.1063/1.3668085openalex-snapshot
Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study
inferredcites →https://doi.org/10.1103/physrevlett.55.2850openalex-snapshot
Local density-functional theory of frequency-dependent linear response
inferredcites →https://doi.org/10.1142/9789812830586_0005openalex-snapshot
Time-Dependent Density Functional Response Theory for Molecules

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

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Prediction of new (TiO2)n n = 21–25 clusters by means of GA plus DFT calculations: A possible biological application
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Absorption mechanism of dopamine/DOPAC-modified TiO2 nanoparticles by time-dependent density functional theory calculations
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