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Quantum chemical calculations of the thermochemistry of tantalum oxyhydroxide species

https://doi.org/10.1111/jace.16410
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What this work says

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

inferredcites →https://doi.org/10.1002/anie.196705811openalex-snapshot
Investigation of Inorganic Systems at High Temperature by Mass Spectrometry
inferredcites →https://doi.org/10.1007/978-1-4757-0961-2openalex-snapshot
Molecular Spectra and Molecular Structure
inferredcites →https://doi.org/10.1007/s11666-004-0049-zopenalex-snapshot
Tantalum Oxide Coatings as Candidate Environmental Barriers
inferredcites →https://doi.org/10.1016/j.jeurceramsoc.2015.11.016openalex-snapshot
A method for assessing the volatility of oxides in high-temperature high-velocity water vapor
inferredcites →https://doi.org/10.1016/j.surfcoat.2006.11.011openalex-snapshot
Opportunities for TBCs in the ZrO2–YO1.5–TaO2.5 system
inferredcites →https://doi.org/10.1016/s0009-2614(89)87395-6openalex-snapshot
A fifth-order perturbation comparison of electron correlation theories
inferredcites →https://doi.org/10.1016/s0364-5916(02)00035-4openalex-snapshot
FactSage thermochemical software and databases
inferredcites →https://doi.org/10.1021/acs.jpca.7b08614openalex-snapshot
Computational and Experimental Study of Thermodynamics of the Reaction of Titania and Water at High Temperatures
inferredcites →https://doi.org/10.1021/j100096a001openalex-snapshot
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
inferredcites →https://doi.org/10.1023/a:1016368227862openalex-snapshot
Spectroscopic Studies on Astrophysically Interesting TaO TaS, ZrS and SiO+ Molecules
inferredcites →https://doi.org/10.1063/1.1723744openalex-snapshot
Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation I. Rigid Frame with Attached Tops
inferredcites →https://doi.org/10.1063/1.3119665openalex-snapshot
Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf–Pt
inferredcites →https://doi.org/10.1063/1.456153openalex-snapshot
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
inferredcites →https://doi.org/10.1063/1.462569openalex-snapshot
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1063/1.473863openalex-snapshot
Basis-set convergence of correlated calculations on water
inferredcites →https://doi.org/10.1063/1.475616openalex-snapshot
Identification and treatment of internal rotation in normal mode vibrational analysis
inferredcites →https://doi.org/10.1111/j.1151-2916.1997.tb02810.xopenalex-snapshot
Paralinear Oxidation of CVD SiC in Water Vapor
inferredcites →https://doi.org/10.1111/j.1551-2916.2004.01701.xopenalex-snapshot
Alumina Volatility in Water Vapor at Elevated Temperatures
inferredcites →https://doi.org/10.1111/jace.14796openalex-snapshot
Interactions of Ta 2 O 5 with water vapor at elevated temperatures
inferredcites →https://doi.org/10.1146/annurev-matsci-071312-121636openalex-snapshot
Water Vapor–Mediated Volatilization of High-Temperature Materials
inferredcites →https://doi.org/10.1146/annurev.pc.32.100181.002043openalex-snapshot
Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules
inferredcites →https://doi.org/10.1557/jmr.2018.425openalex-snapshot
Thermochemistry of volatile metal hydroxides and oxyhydroxides at elevated temperatures

What points at this work

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

inferred← citeshttps://doi.org/10.2139/ssrn.4798152openalex-extracted
Compound Database for Gaseous Metal Hydroxides and Oxyhydroxides
inferred← citeshttps://doi.org/10.1016/j.calphad.2024.102707openalex-snapshot
Compound database for gaseous metal hydroxides and oxyhydroxides
inferred← citeshttps://doi.org/10.1016/j.ceramint.2025.12.188openalex-snapshot
Performance of YbTaO4-Ta2O5 composites with different Ta2O5 inclusions as integrated thermal environmental barrier coating materials
inferred← citeshttps://doi.org/10.1021/acs.iecr.9b06542openalex-snapshot
Predicting Solubility of Oxides of Metals and Metalloids in Supercritical Water
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c01059openalex-snapshot
Thermochemistry of Gaseous Ytterbium and Gadolinium Hydroxides and Oxyhydroxides
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c00764openalex-snapshot
Computational Chemistry Derivation of Cr, Mn, and La Hydroxide and Oxyhydroxide Thermodynamics
inferred← citeshttps://doi.org/10.1021/acs.jpclett.6c01999openalex-snapshot
Hydrogen-Bond Network Drives Water Splitting by Neutral Tantalum Center
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/10.1111/jace.17213openalex-snapshot
Thermodynamics of high‐temperature aluminum, zirconium, and yttrium hydroxide and oxyhydroxide vapor species
inferred← citeshttps://doi.org/10.1111/jace.17844openalex-snapshot
Erosion of refractory carbides in high‐temperature hydrogen from ab initio computations
inferred← citeshttps://doi.org/10.1134/s2070050426700212openalex-snapshot
Deep Methane Oxidation over Pd–Glass Fiber Catalysts Prepared by Chemical Vapor Deposition
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