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  • 1
    Electronic Resource
    Electronic Resource
    Intrinsic reaction coordinate for the gas-phase pyrolysis of ethyl formate (1983)
    Springer
    Theoretical chemistry accounts 62 (1983), S. 245-255 
    Details
    ISSN: 1432-2234
    Keywords: Intrinsic reaction coorinate ; Ethyl formate ; Gas phase pyrolysis ; Activation entropy ; MNDO molecular orbital calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Fukui's IRC is obtained for the pyrolysis of ethyl formate within the level of MNDO molecular orbital calculations. The activation enthalpy and entropy can be evaluated from the calculated partition functions and compared with the observed values. It is suggested that the pyrolysis would be significantly promoted when it occurs in an aprotic polar solvent.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00548838
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