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Gas-Phase Thermochemistry of Iron Oxides and Hydroxides: Portrait of a Super-Efficient Flame Suppressant
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F
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Theoretical confirmation of a 4Δ ground state for FeH
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The dissociation energies of FeF, FeCl, and FeBr and their positive ions
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A fifth-order perturbation comparison of electron correlation theories
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Low-lying electronic states and molecular structure of FeO2 and FeO2−
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Computational Thermochemistry
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Ab initio calculations of transition-metal organometallics: structure and molecular properties
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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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Organometallic bond dissociation energies: laser pyrolysis of iron pentacarbonyl, chromium hexacarbonyl, molybdenum hexacarbonyl, and tungsten hexacarbonyl
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Reactions of Laser-Ablated Iron Atoms with Oxygen Molecules: Matrix Infrared Spectra and Density Functional Calculations of OFeO, FeOO, and Fe(O2)
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Reactions of Laser-Ablated Iron Atoms with Oxygen Molecules in Condensing Argon. Infrared Spectra and Density Functional Calculations of Iron Oxide Product Molecules
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Thermochemistry of Iron Chlorides and Their Positive and Negative Ions
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Density Functional Theory of Electronic Structure
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Performance of the B3LYP/ECP DFT Calculations of Iron-Containing Compounds
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Stratospheric sink for chlorofluoromethanes: chlorine atom-catalysed destruction of ozone
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Catalysis of radical recombination in flames by iron
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Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
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Thermochemical properties of gaseous FeO and FeOH
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Laser photoelectron spectroscopy of MnH− and FeH−: Electronic structures of the metal hydrides, identification of a low-spin excited state of MnH, and evidence for a low-spin ground state of FeH
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Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
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Energy-adjusted a b i n i t i o pseudopotentials for the first row transition elements
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Gaussian-2 theory for molecular energies of first- and second-row compounds
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Density-functional thermochemistry. III. The role of exact exchange
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The identification of a 6Φ–X 4Δ intercombination system in the FeH radical at 448 nm
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Thermochemistry of gaseous manganese oxides and hydroxides
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Dissociation energies of the monochlorides and dichlorides of Cr, Mn, Fe, Co, and Ni
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The near-infrared spectrum of the FeH molecule
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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Modern Electronic Structure Theory
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Compound Database for Gaseous Metal Hydroxides and Oxyhydroxides
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Characterization, Orbital Description, and Reactivity Patterns of Transition-Metal Oxo Species in the Gas Phase
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Extracting Thermochemical Information from Ab Initio Data
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Compound database for gaseous metal hydroxides and oxyhydroxides
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Ab initio studies on the electronic structure of FeOH
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A density functional theory investigation of the reactions of Fe and FeO2 with O2
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Vibrational spectroscopy of intermediates in benzene-to-pheno conversion by FeO+
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Catalytic inhibition of laminar flames by transition metal compounds
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Enhancement of flame-retardant performance of thermoplastic polyurethane with the incorporation of aluminum hypophosphite and iron-graphene
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Premixed carbon monoxide–nitrous oxide–hydrogen flames: measured and calculated burning velocities with and without Fe(CO)5‡‡Official contribution of the National Institute of Standards and Technology, not subject to copyright in the United States.
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Inhibition of premixed carbon monoxide–hydrogen–oxygen–nitrogen flames by iron pentacarbonyl††Official contribution of the National Institute of Standards and Technology, not subject to copyright in the United States.
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Iron compounds in non-halogen flame-retardant polyamide systems
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Direct determination of the ionization energies of FeO and CuO with VUV radiation
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Determination of the rate constants for the reaction Fe + O2 = FeO + O in the forward and reverse directions
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Thermochemical parameters and rate constants of the reactions Fe + O2 + M ↔ FeO2 + M and FeO + O2 ↔ FeO2 + O
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Rate constants of the reaction Fe + O2 + M ↔ FeO2 + M in the low- and high-pressure limits
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Inhibition of premixed carbon monoxide-hydrogen-oxygen-nitrogen flames by iron pentacarbonyl
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