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Molecular Structures and Energetics of the (TiO 2 ) n ( n = 1−4) Clusters and Their Anions

https://doi.org/10.1021/jp800170q
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Gas-Phase Reactions of Transition-Metal Ions with Molecular Oxygen: Room-Temperature Kinetics and Periodicities in Reactivity
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Resonant Ionization Using IR Light: A New Tool To Study the Spectroscopy and Dynamics of Gas-Phase Molecules and Clusters
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A New, Self-Contained Asymptotic Correction Scheme To Exchange-Correlation Potentials for Time-Dependent Density Functional Theory
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On the Titanium Oxide Neutral Cluster Distribution in the Gas Phase: Detection through 118 nm Single-Photon and 193 nm Multiphoton Ionization
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Thermodynamic Properties of Molecular Borane Amines and the [BH4-][NH4+] Salt for Chemical Hydrogen Storage Systems from ab Initio Electronic Structure Theory
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Thermodynamic Properties of the C5, C6, and C8 n-Alkanes from ab Initio Electronic Structure Theory
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Structure and Stability of Small TiO 2 Nanoparticles
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Thermodynamic Properties of Molecular Borane Phosphines, Alane Amines, and Phosphine Alanes and the [BH4-][PH4+], [AlH4-][NH4+], and [AlH4-][PH4+] Salts for Chemical Hydrogen Storage Systems from ab Initio Electronic Structure Theory
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Theoretical Study of the Electronic Structure and Stability of Titanium Dioxide Clusters (TiO2)n with n = 1−9
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Reliable Predictions of the Thermochemistry of Boron−Nitrogen Hydrogen Storage Compounds: B x N x H y , x = 2, 3
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Low-Lying Electronic States of M3O9- and M3O92- (M = Mo, W)
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Heats of Formation of Simple Boron Compounds
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Heats of Formation of CF2, FCO, and CF2O
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Theoretical Study of the Heats of Formation of Small Silicon-Containing Compounds
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Predicting the Heats of Formation of Model Hydrocarbons up to Benzene
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Photoelectrochemical cells
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Thermodynamic analysis of phase stability of nanocrystalline titania
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Experimental study of gas phase titanium and aluminum oxide clusters
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Asymptotic correction approach to improving approximate exchange–correlation potentials: Time-dependent density-functional theory calculations of molecular excitation spectra
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The performance of density functional theory for equilibrium molecular properties of symmetry breaking molecules
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Mass spectrometric study of the thermochemistry of gaseous EuTiO3 and TiO2
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Identification and stability determinations for the gaseous titanium oxide molecules Ti2O3 and Ti2O4
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A computational study of the TiO2 molecule
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Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
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Coupled cluster theory for high spin, open shell reference wave functions
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Electronic structure of titanium oxide clusters: TiOy (y = 1−3) and (TiO2)n (n = 1−4)
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An examination of intrinsic errors in electronic structure methods using the Environmental Molecular Sciences Laboratory computational results database and the Gaussian-2 set
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The structures, electron affinities, and energetic stabilities of TiOn and TiOn− (n=1–3)
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Re-examination of atomization energies for the Gaussian-2 set of molecules
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A comparison of techniques for predicting higher order correlation effects: Diatomic dissociation energies
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On the growth dynamics of neutral vanadium oxide and titanium oxide clusters
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Performance of CCSDT for diatomic dissociation energies
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Density functional study of stoichiometric and O-rich titanium oxygen clusters
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Electronic structure investigation of neutral titanium oxide molecules TixOy
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Density-functional exchange-energy approximation with correct asymptotic behavior
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Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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Accurate and simple analytic representation of the electron-gas correlation energy
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First-principles calculations of the phase stability of TiO 2
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Coupled-cluster theory in quantum chemistry
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Charge density in rutile, TiO2
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Refinement of the structure of anatase at several temperatures*
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Neutron diffraction study of the thermal and oxygen position parameters in rutile
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The crystal structure of rutile as a function of temperature up to 1600°C
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Particle size effects on transformation kinetics and phase stability in nanocrystalline TiO 2
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Advanced inorganic chemistry

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

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The Chemical Nature of Ti4O10–: Vibrational Predissociation Spectroscopy Combined with Global Structure Optimization
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c05769openalex-snapshot
Evolution of Ferromagnetic and Antiferromagnetic States in Iron Nitride Clusters FenN and FenN2 (n = 1–10)
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c07733openalex-snapshot
Oxygen Deficiencies in Titanium Oxide Clusters as Models for Bulk Defects
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c00776openalex-snapshot
Computational Study of Dehydration and Dehydrogenation of Ethanol on (TiO2)n (n = 2–4) Nanoclusters
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c05426openalex-snapshot
Nitrogen Reduction to Ammonia on a Fe16 Nanocluster: A Computational Study of Catalysis
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c06389openalex-snapshot
Binding of SO3 to Group 4 Transition Metal Oxide Nanoclusters
inferred← citeshttps://doi.org/10.1021/acs.jpca.5b07697openalex-snapshot
Molecular and Dissociative Adsorption of Water on (TiO2)n Clusters, n = 1–4
inferred← citeshttps://doi.org/10.1021/acs.jpca.5c00981openalex-snapshot
Hydrolysis Reaction Pathways of Thorium Oxide Nanoclusters
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b00477openalex-snapshot
Photoactivity of Molecule–TiO2 Clusters with Time-Dependent Density-Functional Theory
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b09278openalex-snapshot
Calibrating Reaction Enthalpies: Use of Density Functional Theory and the Correlation Consistent Composite Approach in the Design of Photochromic Materials
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b09491openalex-snapshot
High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiOn/TiOn+, n = 1 and 2)
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b11036openalex-snapshot
Transitions from Stable to Metastable States in the Cr2On and Cr2On– Series, n = 1–14
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b07226openalex-snapshot
Electronic Structures of Small (RuO2)n (n = 1–4) Nanoclusters and Their Anions and the Hydrolysis Reactions with Water
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b09056openalex-snapshot
Structures and Heats of Formation of Simple Alkaline Earth Metal Compounds II: Fluorides, Chlorides, Oxides, and Hydroxides for Ba, Sr, and Ra
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b09462openalex-snapshot
Reaction of CO2 with Groups 4 and 6 Transition Metal Oxide Clusters
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b12634openalex-snapshot
Computational Study of Molecular Hydrogen Adsorption over Small (MO2)n Nanoclusters (M = Ti, Zr, Hf; n = 1 to 4)
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b01219openalex-snapshot
Laser Synthesis and Spectroscopy of Ligand-Coated Chromium Oxide Nanoclusters
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b03496openalex-snapshot
Dependence of Properties and Exchange Coupling Constants on the Charge in the Mn2On and Fe2On Series
inferred← citeshttps://doi.org/10.1021/acs.jpclett.1c00840openalex-snapshot
Oscillation in Excited State Lifetimes with Size of Sub-nanometer Neutral (TiO 2 ) n Clusters Observed with Ultrafast Pump–Probe Spectroscopy
inferred← citeshttps://doi.org/10.1021/cr400629popenalex-snapshot
TiO 2 Nanoparticles as Functional Building Blocks
inferred← citeshttps://doi.org/10.1021/cr500506ropenalex-snapshot
Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters
inferred← citeshttps://doi.org/10.1021/cr900185xopenalex-snapshot
Spectroscopic and Theoretical Studies of Transition Metal Oxides and Dioxygen Complexes
inferred← citeshttps://doi.org/10.1021/ct400105copenalex-snapshot
Tree Growth—Hybrid Genetic Algorithm for Predicting the Structure of Small (TiO 2 ) n , n = 2–13, Nanoclusters
inferred← citeshttps://doi.org/10.1021/ct400418uopenalex-snapshot
Tests of Exchange-Correlation Functional Approximations Against Reliable Experimental Data for Average Bond Energies of 3d Transition Metal Compounds
inferred← citeshttps://doi.org/10.1021/ct400432xopenalex-snapshot
Performance of Density Functionals for Activation Energies of Zr-Mediated Reactions
inferred← citeshttps://doi.org/10.1021/ct4010273openalex-snapshot
Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description
inferred← citeshttps://doi.org/10.1021/ct4010855openalex-snapshot
Performance of Density Functionals for Activation Energies of Re-Catalyzed Organic Reactions
inferred← citeshttps://doi.org/10.1021/ct8005584openalex-snapshot
Auxiliary Basis Sets for Density-Fitted MP2 Calculations: Correlation-Consistent Basis Sets for the 4d Elements
inferred← citeshttps://doi.org/10.1021/ct900422copenalex-snapshot
An Improved Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) Set of Parameters for Simulation of Bulk and Molecular Systems Involving Titanium
inferred← citeshttps://doi.org/10.1021/ja110061vopenalex-snapshot
Stoichiometric and Oxygen-Rich M2On−and M2On(M = Nb, Ta;n= 5−7) Clusters: Molecular Models for Oxygen Radicals, Diradicals, and Superoxides
inferred← citeshttps://doi.org/10.1021/ja4076309openalex-snapshot
New Insights on Photocatalytic H2 Liberation from Water Using Transition-Metal Oxides: Lessons from Cluster Models of Molybdenum and Tungsten Oxides
inferred← citeshttps://doi.org/10.1021/ja502713vopenalex-snapshot
Structural Isomers of Ti2O4 and Zr2O4 Anions Identified by Slow Photoelectron Velocity-Map Imaging Spectroscopy
inferred← citeshttps://doi.org/10.1021/jp102020hopenalex-snapshot
Hydrolysis of TiCl4: Initial Steps in the Production of TiO2
inferred← citeshttps://doi.org/10.1021/jp1022949openalex-snapshot
Electron Affinities, Fluoride Affinities, and Heats of Formation of the Second Row Transition Metal Hexafluorides: MF6(M = Mo, Tc, Ru, Rh, Pd, Ag)
inferred← citeshttps://doi.org/10.1021/jp104372jopenalex-snapshot
Electronic and Optical Properties of Doped and Undoped (TiO 2 ) n Nanoparticles
inferred← citeshttps://doi.org/10.1021/jp1050657openalex-snapshot
Structures and Heats of Formation of Simple Alkaline Earth Metal Compounds: Fluorides, Chlorides, Oxides, and Hydroxides for Be, Mg, and Ca
inferred← citeshttps://doi.org/10.1021/jp109412uopenalex-snapshot
Structure and Stability of (TiO2)n, (SiO2)n, and Mixed TimSin−mO2n [n = 2−5, m = 1 to (n − 1)] Clusters
inferred← citeshttps://doi.org/10.1021/jp111026xopenalex-snapshot
Computational Study of the Hydrolysis Reactions of the Ground and First Excited Triplet States of Small TiO 2 Nanoclusters
inferred← citeshttps://doi.org/10.1021/jp111031xopenalex-snapshot
Molecular Structures, Acid−Base Properties, and Formation of Group 6 Transition Metal Hydroxides
inferred← citeshttps://doi.org/10.1021/jp111592eopenalex-snapshot
Matrix Infrared Spectroscopic and Computational Investigations of the Lanthanide−Methylene Complexes CH2LnF2 with Single Ln−C Bonds
inferred← citeshttps://doi.org/10.1021/jp202125gopenalex-snapshot
Gas Phase Synthesis of Au Clusters Deposited on Titanium Oxide Clusters and Their Reactivity with CO Molecules
inferred← citeshttps://doi.org/10.1021/jp202590eopenalex-snapshot
Surface-Enhanced Raman Scattering on Semiconducting Oxide Nanoparticles: Oxide Nature, Size, Solvent, and pH Effects
inferred← citeshttps://doi.org/10.1021/jp202668popenalex-snapshot
Bond Energies in Models of the Schrock Metathesis Catalyst
inferred← citeshttps://doi.org/10.1021/jp2050349openalex-snapshot
Theoretical Investigation of the Hydrogenation of (TiO2)NClusters (N= 1–10)
inferred← citeshttps://doi.org/10.1021/jp205710eopenalex-snapshot
Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes
inferred← citeshttps://doi.org/10.1021/jp207128aopenalex-snapshot
Theoretical Investigation of the Electrochemical Mechanism of Water Splitting on a Titanium Oxide Cluster Model
inferred← citeshttps://doi.org/10.1021/jp208926mopenalex-snapshot
Matrix Infrared Spectra and Theoretical Studies of Thorium Oxide Species: ThOx and Th2Oy
inferred← citeshttps://doi.org/10.1021/jp210867wopenalex-snapshot
Computational Study of the Hydrolysis Reactions of Small MO2 (M = Zr and Hf) Nanoclusters with Water
inferred← citeshttps://doi.org/10.1021/jp211690yopenalex-snapshot
Thermodynamics of Titanium and Vanadium Reduction in Non-Aqueous Environment Calculated at Various Levels of Theory
inferred← citeshttps://doi.org/10.1021/jp303493topenalex-snapshot
Spectroscopic and Energetic Properties of Thorium(IV) Molecular Clusters with a Hexanuclear Core
inferred← citeshttps://doi.org/10.1021/jp303593dopenalex-snapshot
Fluxionality in the Chemical Reactions of Transition Metal Oxide Clusters: The Role of Metal, Spin State, and the Reactant Molecule
inferred← citeshttps://doi.org/10.1021/jp303604kopenalex-snapshot
Structural and Electronic Properties of Reduced Transition Metal Oxide Clusters, M 4 O 10 and M 4 O 10 – (M = Cr, W), from Photoelectron Spectroscopy and Quantum Chemical Calculations
inferred← citeshttps://doi.org/10.1021/jp3117648openalex-snapshot
MgH 2 Dehydrogenation Thermodynamics: Nanostructuring and Transition Metal Doping
inferred← citeshttps://doi.org/10.1021/jp401443xopenalex-snapshot
Computational Study of H2 and O2 Production from Water Splitting by Small (MO2)n Clusters (M = Ti, Zr, Hf)
inferred← citeshttps://doi.org/10.1021/jp4014465openalex-snapshot
Low-Lying Electronic States of Irn Clusters with n = 2–8 Predicted at the DFT, CASSCF, and CCSD(T) Levels
inferred← citeshttps://doi.org/10.1021/jp402547topenalex-snapshot
Phase Transformation and Charge Transfer in Heavily Iron Ion Doped Titanium Oxide and Oxynitride Nanocolloids
inferred← citeshttps://doi.org/10.1021/jp4033589openalex-snapshot
Toward an Understanding of the Hydrogenation Reaction of MO2Gas-Phase Clusters (M = Ti, Zr, and Hf)
inferred← citeshttps://doi.org/10.1021/jp410096nopenalex-snapshot
Methane Activations by Lanthanum Oxide Clusters
inferred← citeshttps://doi.org/10.1021/jp500255fopenalex-snapshot
Ethanol Conversion on Cyclic (MO3)3 (M = Mo, W) Clusters
inferred← citeshttps://doi.org/10.1021/jp802903copenalex-snapshot
Intrinsic Hole Migration Rates in TiO2from Density Functional Theory
inferred← citeshttps://doi.org/10.1021/jp810182aopenalex-snapshot
Accurate Thermochemistry for Transition Metal Oxide Clusters
inferred← citeshttps://doi.org/10.1021/jp9082008openalex-snapshot
Structural and Electronic Properties of Reduced Transition Metal Oxide Clusters, M3O8and M3O8−(M = Cr, W), from Photoelectron Spectroscopy and Quantum Chemical Calculations
inferred← citeshttps://doi.org/10.1021/jp910310jopenalex-snapshot
Molecular Structures and Energetics of the (ZrO2)n and (HfO2)n (n = 1−4) Clusters and Their Anions
inferred← citeshttps://doi.org/10.1021/jp911735copenalex-snapshot
Structures and Heats of Formation of Simple Alkali Metal Compounds: Hydrides, Chlorides, Fluorides, Hydroxides, and Oxides for Li, Na, and K
inferred← citeshttps://doi.org/10.1038/s41598-024-61943-1openalex-snapshot
Low density phases of TiO2 by cluster self-assembly
inferred← citeshttps://doi.org/10.1039/b821849hopenalex-snapshot
Characterization of the X 1A1 and à 1B2 electronic states of titanium dioxide, TiO2
inferred← citeshttps://doi.org/10.1039/b907148bopenalex-snapshot
Density functional theory for transition metals and transition metal chemistry
inferred← citeshttps://doi.org/10.1039/c0cp00057dopenalex-snapshot
Exploration of multiple energy landscapes for zirconia nanoclusters
inferred← citeshttps://doi.org/10.1039/c2cp42091kopenalex-snapshot
Density functional study of water-gas shift reaction on M3O3x/Cu(111)
inferred← citeshttps://doi.org/10.1039/c2dt31223aopenalex-snapshot
Infrared spectroscopic and theoretical studies of the OTiF2, OZrF2 and OHfF2 molecules with terminal oxo ligands
inferred← citeshttps://doi.org/10.1039/c3cp54084gopenalex-snapshot
High-resolution anion photoelectron spectra of TiO2−, ZrO2−, and HfO2− obtained by slow electron velocity-map imaging
inferred← citeshttps://doi.org/10.1039/c3ra41816bopenalex-snapshot
TDDFT studies of electronic spectra and excited states of the triphenylamine-based organic sensitizers and organic sensitizer–titanium dioxide cluster complexes
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1039/c4cp00752bopenalex-snapshot
Structure and properties of bimetallic titanium and vanadium oxide clusters
inferred← citeshttps://doi.org/10.1039/c4ee03271copenalex-snapshot
Visible-light driven heterojunction photocatalysts for water splitting – a critical review
inferred← citeshttps://doi.org/10.1039/c5cp01812aopenalex-snapshot
Light-induced water splitting by titanium-tetrahydroxide: a computational study
inferred← citeshttps://doi.org/10.1039/c6cp03241aopenalex-snapshot
A comparative study of small 3d-metal oxide (FeO) n , (CoO) n , and (NiO) n clusters
inferred← citeshttps://doi.org/10.1039/c6cp04515dopenalex-snapshot
Single oxygen vacancies of (TiO 2 ) 35 as a prototype reduced nanoparticle: implication for photocatalytic activity
inferred← citeshttps://doi.org/10.1039/c7cp03798hopenalex-snapshot
Excess charge driven dissociative hydrogen adsorption on Ti 2 O 4 −
inferred← citeshttps://doi.org/10.1039/c7ra10786bopenalex-snapshot
A first-principles study of titanium oxide clusters formation and evolution in a steel matrix
inferred← citeshttps://doi.org/10.1039/d0cp05427eopenalex-snapshot
Dissociation of dinitrogen on iron clusters: a detailed study of the Fe 16 + N 2 case
inferred← citeshttps://doi.org/10.1039/d1cp00506eopenalex-snapshot
Thiol adsorption on metal oxide nanoparticles
inferred← citeshttps://doi.org/10.1039/d1nr04699copenalex-snapshot
Dynamical evolution of the Schottky barrier as a determinant contribution to electron–hole pair stabilization and photocatalysis of plasmon-induced hot carriers
inferred← citeshttps://doi.org/10.1039/d3cp00380aopenalex-snapshot
Prediction of the structures and heats of formation of MO 2 , MO 3 , and M 2 O 5 for M = V, Nb, Ta, Pa
inferred← citeshttps://doi.org/10.1063/1.3126776openalex-snapshot
Assignment of photoelectron spectra of (TiO2)n with n=1–3
inferred← citeshttps://doi.org/10.1063/1.3160667openalex-snapshot
Accurate thermochemistry for transition metal complexes from first-principles calculations
inferred← citeshttps://doi.org/10.1063/1.3505298openalex-snapshot
Photoelectron spectroscopy and density functional theory study of TiAlOy− (y=1–3) and TiAl2Oy− (y=2–3) clusters
inferred← citeshttps://doi.org/10.1063/1.3515477openalex-snapshot
Calculations of the low-lying excited states of the TiO2 molecule
inferred← citeshttps://doi.org/10.1063/1.3570578openalex-snapshot
A systematic study of neutral and charged 3d-metal trioxides and tetraoxides
inferred← citeshttps://doi.org/10.1063/1.3668085openalex-snapshot
Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study
inferred← citeshttps://doi.org/10.1063/1.4767771openalex-snapshot
Taming the low-lying electronic states of FeH
inferred← citeshttps://doi.org/10.1063/1.4799616openalex-snapshot
Ab-initio study of free standing TiO2 clusters: Stability and magnetism
inferred← citeshttps://doi.org/10.1063/1.4799917openalex-snapshot
An all-electron density functional theory study of the structure and properties of the neutral and singly charged M12 and M13 clusters: M = Sc–Zn
inferred← citeshttps://doi.org/10.1063/1.4817536openalex-snapshot
Coupled cluster calculations on TiO2 nanoclusters
inferred← citeshttps://doi.org/10.1063/1.4892671openalex-snapshot
Electronic structures and water reactivity of mixed metal sulfide cluster anions
inferred← citeshttps://doi.org/10.1063/1.4942194openalex-snapshot
Gas phase vibrational spectroscopy of cold (TiO2)n− (n = 3–8) clusters
inferred← citeshttps://doi.org/10.1063/1.5134453openalex-snapshot
Morphology and reactivity of size-selected titanium oxide nanoclusters on Au(111)
inferred← citeshttps://doi.org/10.1063/1674-0068/cjcp1905108openalex-snapshot
Computational study on interactions between CO2 and (TiO2)n clusters at specific sites
inferred← citeshttps://doi.org/10.1063/1674-0068/cjcp2111245openalex-snapshot
Low-lying isomers of (TiO2)n (n=2−8) clusters
inferred← citeshttps://doi.org/10.1063/1674-0068/cjcp2510163openalex-snapshot
High-resolution photoelectron spectroscopy of cryogenically cooled TiO2CH3OH−: An investigation of methanol splitting by TiO2−/0
inferred← citeshttps://doi.org/10.1063/5.0042106openalex-snapshot
Photoelectron spectra of early 3d-transition metal dioxide molecular anions from GW calculations
inferred← citeshttps://doi.org/10.1063/5.0349800openalex-snapshot
Bond dissociation energies of OV+–O, V+–N, and VN+–NH3 measured by photodissociation
inferred← citeshttps://doi.org/10.1080/00268976.2018.1465605openalex-snapshot
Structural, spectroscopic and thermodynamic aspects of azide–water clusters: an approach using a conjugated prescription of stochastic and quantum chemical methods
inferred← citeshttps://doi.org/10.1080/00268976.2019.1645368openalex-snapshot
Constructing transformation paths for conformational changes in (MgF 2 ) n clusters using a stochastic procedure
inferred← citeshttps://doi.org/10.1080/00268976.2025.2486730openalex-snapshot
An investigation into structure and spectroscopic properties of CO 2 (H 2 O) n clusters using a conjunction of stochastic and quantum chemical methods
inferred← citeshttps://doi.org/10.1088/0953-8984/24/30/305301openalex-snapshot
Ab initiostudy of neutral (TiO2)nclusters and their interactions with water and transition metal atoms
inferred← citeshttps://doi.org/10.1103/physrevb.90.165424openalex-snapshot
First-principles real-space study of electronic and optical excitations in rutile TiO 2 nanocrystals
inferred← citeshttps://doi.org/10.1103/physrevlett.108.106801openalex-snapshot
Structure Selection Based on High Vertical Electron Affinity for TiO2 Clusters
inferred← citeshttps://doi.org/10.1109/nusod.2011.6041192openalex-snapshot
Characterization of TiO2 atomic crystals for nanocomposite materials oriented to optoelectronics
inferred← citeshttps://doi.org/10.1134/s0036023622601751openalex-snapshot
Spin-Dependent Interactions of Fe2On Clusters with H2 and O2 Molecules
inferred← citeshttps://doi.org/10.1134/s0036023623601757openalex-snapshot
Nonempirical Modeling of Interactions of Fe2O2 and Fe2O4 Clusters with H2 and O2 Molecules
inferred← citeshttps://doi.org/10.1134/s0036023624602824openalex-snapshot
Quantum-Chemical Modeling of Interactions of Fe2O7 and Fe2O9 Clusters with H2 and O2 Molecules
inferred← citeshttps://doi.org/10.1134/s003602442470081xopenalex-snapshot
Quantum Chemical Calculations of the Magnetic Susceptibility Tensor of Titanium Dioxide Clusters
inferred← citeshttps://doi.org/10.1142/s0219633612500861openalex-snapshot
CHARACTERISTIC VIBRATIONAL MODES OF H2O ADSORBED MOLECULARLY AND DISSOCIATIVELY ON TITANIUM OXIDE CLUSTERS
inferred← citeshttps://doi.org/10.1142/s0219633612500940openalex-snapshot
STABLE STRUCTURES AND CHARACTERISTIC VIBRATIONAL SPECTRA OF Ti n O m(n = 2–4; m = 1–2n) CLUSTERS
inferred← citeshttps://doi.org/10.1142/s0219633615500558openalex-snapshot
Assessing density functionals for the prediction of thermochemistry of Ti–O–Cl species
inferred← citeshttps://doi.org/10.1146/annurev-physchem-050317-020808openalex-snapshot
Slow Photoelectron Velocity-Map Imaging of Cryogenically Cooled Anions
inferred← citeshttps://doi.org/10.1155/2024/4014216openalex-snapshot
Strongly Bound Frenkel Excitons on TiO2 Nanoparticles: An Evolutionary and DFT Approach
inferred← citeshttps://doi.org/10.3390/ma14226848openalex-snapshot
Laser Desorption/Ionization Mass Spectrometry as a Potential Tool for Evaluation of Hydroxylation Degree of Various Types of Titanium Dioxide Materials
inferred← citeshttps://doi.org/10.70675/0c515146zb1fez450cza559z6daf06ff2918openalex-snapshot
The interaction of hydrogen with titanium dioxide : a periodic study
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