4a Fulminic acid plus ethylene TS     31 4a Fulminic acid plus ethylene TS

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    #  Species Formula
    21 5b Formonitrile imine plus acetylene TSC3H4N2
    22 3a Diazomethane plus ethylene TSC3H6N2
    23 5a Formonitrile imine plus ethylene TSC3H6N2
    24 8b Formoazomethine imine plus acetylene TSC3H6N2
    25 8a Formoazomethine imine plus ethylene TSC3H8N2
    26 2b Hydrazoic acid plus acetylene TSC2H3N3
    27 2a Hydrazoic acid plus ethylene TSC2H5N3
    28 H plus CO - HCO TSHCO
    29 OH plus CH4 - H2O plus CH3 TSCH5O
    30 4b Fulminic acid plus acetylene TSC3H3NO
    31 4a Fulminic acid plus ethylene TS C3H5NO
    32 7b Methylene nitrone plus acetylene TSC3H5NO
    33 7a Methylene nitrone plus ethylene TSC3H7NO
    34 N-methyl acetamide, TS, forward reactionC3H7NO
    35 N2OH TSHN2O
    36 1b Nitrous oxide and acetylene TSC2H2N2O
    37 1a Nitrous oxide and ethylene TSC2H4N2O
    38 H plus HF - HF plus H TSH2F
    39 H plus FCH3 - HF plus CH3 TSCH4F
    40 F-CH3-OH (-) TSCH4OF
    41 HOCH3F TS 2CH4OF


ΔHf: 13.0 kcal/mol,     REF: Ess, D. H., Houk, K. N., Activation Energies of Pericyclic Reactions ... J. Phys. Chem. A 109 9542-9553 2005
  

      4a Fulminic acid plus ethylene TS
      h=13.0+"4a Fulminic acid plus ethylene" hr=eh2005
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.36940000  1    0.0000000  0    0.0000000  0     1     0     0
  O     2.09248100  1  101.3303380  1    0.0000000  0     1     2     0
  N     1.21984600  1  101.0824900  1   -0.0191450  1     3     1     2
  C     1.20934600  1  135.6142120  1    0.0025560  1     4     3     1
  H     1.08063700  1  122.6367810  1  -95.2457310  1     1     2     3
  H     1.08068100  1  122.6164080  1 -169.5478720  1     1     2     6
  H     1.08146400  1  121.7511450  1 -100.0512900  1     2     1     3
  H     1.08142100  1  121.7712460  1 -159.8378410  1     2     1     8
  H     1.04086300  1  149.7801750  1  179.9960700  1     5     4     3