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Compound Database for Gaseous Metal Hydroxides and Oxyhydroxides

https://doi.org/10.2139/ssrn.4798152
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Thermodynamics of gas phase species in the Si–O–H system
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A fifth-order perturbation comparison of electron correlation theories
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Gaseous Hydroxides
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Metallic layers in the mesopause and lower thermosphere region
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FactSage thermochemical software and databases
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Thermo-Calc & DICTRA, computational tools for materials science
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Thermochemistry of neutral and cationic iron hydroxides Fe(OH)n0/+ (n=1, 2) in the gas phase
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Use of Improved Orbitals for CCSD(T) Calculations for Predicting Heats of Formation of Group IV and Group VI Metal Oxide Monomers and Dimers and UCl6
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Thermochemistry of Gaseous Ytterbium and Gadolinium Hydroxides and Oxyhydroxides
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Computational Chemistry Derivation of Cr, Mn, and La Hydroxide and Oxyhydroxide Thermodynamics
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Thermochemistry of SinOx(OH)y Vapor Species from Quantum Chemical Calculations
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Gas Phase Properties of MX2 and MX4 (X = F, Cl) for M = Group 4, Group 14, Cerium, and Thorium
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Computational and Experimental Study of Thermodynamics of the Reaction of Titania and Water at High Temperatures
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Thermodynamic Modeling of Solubility of Corundum in Water at Supercritical Conditions
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Computational Thermochemistry
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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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The Volatilization of Tungsten in the Presence of Water Vapor
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Gaseous hydroxides of cobalt and nickel
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The Volatilization of Molybdenum in the Presence of Water Vapor
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Why Is Quantum Chemistry So Complicated?
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Infrared Spectra of M(OH)1,2,3 (M = Mn, Fe, Co, Ni) Molecules in Solid Argon and the Character of First Row Transition Metal Hydroxide Bonding
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Theoretical and Experimental Investigation of the Thermochemistry of CrO 2 (OH) 2 (g)
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Hydrolysis of ZrCl4 and HfCl4: The Initial Steps in the High-Temperature Oxidation of Metal Chlorides to Produce ZrO2 and HfO2
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Gaseous Rust: Thermochemistry of Neutral and Ionic Iron Oxides and Hydroxides in the Gas Phase
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Gas-Phase Thermochemistry of Iron Oxides and Hydroxides: Portrait of a Super-Efficient Flame Suppressant
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Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation
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Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
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A volatile iron hydroxide
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The generalized Douglas–Kroll transformation
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Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation I. Rigid Frame with Attached Tops
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Heterogeneous Reactions Studied by Mass Spectrometry. I. Reaction of B2O3(s) with H2O(g)
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Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn
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Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf–Pt
inferredcites →https://doi.org/10.1063/1.440255openalex-extracted
Thermochemical properties of gaseous FeO and FeOH
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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
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Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
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Density-functional thermochemistry. III. The role of exact exchange
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Coupled cluster theory for high spin, open shell reference wave functions
inferredcites →https://doi.org/10.1063/1.466783openalex-extracted
Thermochemistry of gaseous manganese oxides and hydroxides
inferredcites →https://doi.org/10.1063/1.473863openalex-extracted
Basis-set convergence of correlated calculations on water
inferredcites →https://doi.org/10.1063/1.475616openalex-extracted
Identification and treatment of internal rotation in normal mode vibrational analysis
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Coupled-cluster techniques for computational chemistry: The CFOUR program package
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Alumina Volatility in Water Vapor at Elevated Temperatures
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A Method for Assessing Reactions of Water Vapor with Materials in High‐Speed, High‐Temperature Flow
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Quantum chemical calculations of the thermochemistry of tantalum oxyhydroxide species
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Thermodynamics of high‐temperature aluminum, zirconium, and yttrium hydroxide and oxyhydroxide vapor species
inferredcites →https://doi.org/10.1146/annurev-matsci-071312-121636openalex-extracted
Water Vapor–Mediated Volatilization of High-Temperature Materials
inferredcites →https://doi.org/10.1146/annurev.pc.32.100181.002043openalex-extracted
Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules
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Thermochemistry of volatile metal hydroxides and oxyhydroxides at elevated temperatures
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