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Estimations of Global Warming Potentials from Computational Chemistry Calculations for CH2F2 and Other Fluorinated Methyl Species Verified by Comparison to Experiment

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What this work says

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

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TheRate: Program forab initio direct dynamics calculations of thermal and vibrational-state-selected rate constants

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Mechanism of hydrogen abstraction from methane and hydrofluoromethanes by hydroxyl radical

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Ab initio study of reactions of hydroxyl radicals with chloro‐ and fluoro‐substituted methanes

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Density functional theory study of radical hydrogen abstraction with hydrogen and hydroxyl radicals

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Infrared band strengths and absorption cross-sections of HFC-32 vapour

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An ab initio study of H abstraction in halogen-substituted methanes by the -OH radical

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On discrepancies between different laboratory measurements of kinetic parameters for the reaction of the hydroxyl radical with halocarbons

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Resolution of the uncertainties in the radiative forcing of HFC-134a

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A computational study of methane catalytic reactions on zeolites

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Density functional theory direct dynamics study on the hydrogen abstraction reaction of CF3CHFCF3+OH→CF3CFCF3+H2O

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Radiative forcing and global warming potentials of 11 halogenated compounds

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Infrared absorption cross-sections and integrated absorption intensities for difluoromethane (HFC-32) and 1,1,1,2-tetrafluoroethane (HFC-134a) in the 650–50 cm−1 region

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Multivariate statistical investigation of the effects of wave function modifications on the calculated vibrational frequencies and infrared intensities of CH2F2

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Measurements of the infrared absorption cross-sections of haloalkanes and their use in a simplified calculational approach for estimating direct global warming potentials

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Kyoto Protocol to the United Nations Framework Convention on Climate Change

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Kyoto Protocol to the United Nations Framework Convention on Climate Change

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Computational Thermochemistry

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Determination of Atmospheric Lifetimes via the Measurement of OH Radical Kinetics

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Changing conceptions of activation energy

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Greenhouse Warming Potentials from the Infrared Spectroscopy of Atmospheric Gases

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Rate Constants and Temperature Dependences for the Reactions of Hydroxyl Radical with Several Halogenated Methanes, Ethanes, and Propanes by Relative Rate Measurements

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Ab Initio Calculations of Vibrational Frequencies and Infrared Intensities for Global Warming Potential of CFC Substitutes: CF3CH2F (HFC-134a)

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Intrinsic Activation Barriers for a Prototype Hydrogenolysis Reaction D + C2H6 .fwdarw. DCH3 + CH3 in C3V Symmetry

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Temperature-Dependent Rate Constants and Substituent Effects for the Reactions of Hydroxyl Radicals with Three Partially Fluorinated Ethers

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Ab initio studies of reactions of hydroxyl radicals with fluorinated ethanes

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Rate coefficients for reactions of several hydrofluorocarbons with hydroxyl and oxygen atom(1D) and their atmospheric lifetimes

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Atmospheric fate of difluoromethane, 1,1,1-trifloroethane, pentafluoroethane, and 1,1-dichloro-1-fluoroethane: rate coefficients for reactions with hydroxyl and UV absorption cross sections of 1,1-dichloro-1-fluoroethane

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Kinetics of the reaction of hydroxyl radical with methane and with nine chlorine- and fluorine-substituted methanes. 1. Experimental results, comparisons, and applications

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Influence of basis sets and electron correlation on theoretically predicted infrared intensities

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Rates of hydroxyl radical reactions. 5. Reactions with fluoromethane, difluoromethane, trifluoromethane, fluoroethane, and 1,1-difluoroethane at 297 K

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A general small-curvature approximation for transition-state-theory transmission coefficients

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Theoretical investigations of the anaerobic reduction of halogenated alkanes by cytochrome P 450. 1. Structures, inversion barriers, and heats of formation of halomethyl radicals

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Updated radiative forcing estimates of 65 halocarbons and nonmethane hydrocarbons

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Infrared intensities and Coriolis interactions in methylene fluoride

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Analytic evaluation and basis set dependence of intensities of infrared spectra

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