tableA1CarbonBensonRules
This is the subset of benson rules from Table A.1 from Benson Thermochemical Kinetics dealing with carbon and hydrogen atoms (no other atoms and no aromatic).
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"dataset:title-staging": "Read in standard Carbon-Hydrogen atom benson rules from table A.1 from Benson Thermochemical Kinetics",
"dataset:abstract-staging": "Read the standard Carbon-Hydrogen atom benson rules. This is Table A.1 from Benson Thermochemical Kinetics.",
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"dcterms:title": "Carbon-Hydrogen Benson Rules set",
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"datacite:PrimaryResourceIdentifier": "ISBN-13: 9780471067818",
"dataset:referencestring": "Benson, Sidney W. (1976). Thermochemical Kinetics: Methods for the Estimation of Thermochemical Data and Rate Parameters, 2nd Ed.",
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1 1 1 c-(h)/3-(c) 0 0.0 3.0 1 1.0j73
1 1 2 1 -10.010 1 30.290 1 7.74 9.24 10.62 12.84 14.59 14.77 17.58 0 j73
1 1 3 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 3 1 c-(c/d)(h)/3 0 0.0 3.0 1 1.0j73
1 3 2 2 -10.440 2 33.930 2 4.69 5.67 6.74 7.80 9.66 11.15 13.63 0 j73
1 3 3 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 4 1 c-(c/t)(h)/3 0 0.0 3.0 1 1.0j73
1 4 2 2 -10.080 2 30.410 2 6.19 7.84 9.40 10.79 13.02 14.77 17.58 0 j73
1 4 3 0 0 0 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 5 1 c-(h)/2-(c)/2 0 0.0 1.0 1 1.0j73
1 5 2 1 -5.000 1 9.650 1 5.59 7.08 8.43 9.53 11.23 12.48 14.25 0 j73
1 5 3 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 6 1 c-(h)-(c)/3 0 0.0 3.0 1 1.0j73
1 6 2 1 -2.140 1 -11.430 1 4.90 6.73 8.01 8.81 9.87 10.43 11.17 0 j73
1 6 3 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 7 1 c-(c)/4 0 0.0 1.0 1 1.0j73
1 7 2 1 0.100 1 -34.990 1 4.01 5.62 7.08 8.42 10.67 11.43 8.12 0 j73
1 7 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 8 1 c/d-(h)/2 0 0.0 1.0 1 1.0j73
1 8 2 1 5.950 1 27.230 1 5.33 6.46 7.52 8.45 9.96 11.12 13.03 0 j73
1 8 3 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 9 1 c/d-(h)-(c) 0 0.0 1.0 1 1.0j73
1 9 2 1 9.190 1 4.510 1 5.55 7.03 8.29 9.29 10.78 11.84 13.41 0 j73
1 9 3 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 10 1 c/d-(c)/2 0 0.0 1.0 1 1.0j73
1 10 2 1 11.980 1 -18.210 1 5.33 7.35 8.92 10.04 11.56 12.52 13.76 0 j73
1 10 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 11 1 c/d-(c/d)-(h) 0 0.0 1.0 1 1.0j73
1 11 2 1 7.020 1 6.680 1 4.38 5.85 6.95 7.71 8.67 9.26 10.14 0 j73
1 11 3 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 12 1 c/d-(c/d)-(c) 0 0.0 1.0 1 1.0j73
1 12 2 1 8.789 1 -14.655 2 4.20 5.37 5.93 6.18 6.50 6.62 6.72 0 j73
1 12 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 15 1 c/d-(c/t)-(h) 0 0.0 1.0 1 1.0j73
1 15 2 1 6.757 1 6.628 1 4.43 5.79 6.75 7.42 8.35 8.99 9.98 0 j73
1 15 3 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 17 1 c/d-(c/d)/2 0 0.0 1.0 1 1.0j73
1 17 2 1 4.600 5 -16.500 0 4.70 6.13 6.87 7.10 7.20 7.16 7.06 0 j73
1 17 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 18 1 c-(c/d)-(c)-(h)/2 0 0.0 1.0 1 1.0j73
1 18 2 1 -5.480 1 13.26 1 3.98 5.00 5.94 6.73 8.03 8.98 10.56 0 j73
1 18 3 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 19 1 c-(c/d)/2-(h)/2 0 0.0 1.0 1 1.0j73
1 19 2 1 -4.830 2 17.09 2 2.12 2.73 3.34 3.91 4.89 5.66 6.93 0 j73
1 19 3 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 21 1 c-(c/t)-(c)-(h)/2 0 0.0 1.0 1 1.0j73
1 21 2 1 -4.707 1 10.227 1 5.01 6.56 7.93 9.08 10.86 12.19 14.20 0 j73
1 21 3 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 23 1 c-(c/d)-(c)/2-(h) 0 0.0 1.0 1 1.0j73
1 23 2 1 -2.290 2 -8.150 2 3.47 4.58 5.35 5.83 6.51 6.88 7.53 0 j73
1 23 3 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 24 1 c-(c/t)-(c)/2-(h) 0 0.0 1.0 1 1.0j73
1 24 2 1 -0.755 2 -10.918 2 4.17 5.61 6.85 7.78 9.10 9.90 11.12 0 j73
1 24 3 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 26 1 c-(c/d)-(c)/3 0 0.0 1.0 1 1.0j73
1 26 2 1 5.288 2 -35.897 2 2.19 4.25 5.64 6.47 7.13 7.17 6.44 0 j73
1 26 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 28 1 c/t-(h) 0 0.0 1.0 1 1.0j73
1 28 2 1 27.121 1 24.363 1 5.39 5.99 6.49 6.87 7.47 7.96 8.85 0 j73
1 28 3 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 29 1 c/t-(c) 0 0.0 1.0 1 1.0j73
1 29 2 1 27.503 1 6.289 1 3.16 3.48 3.81 4.09 4.60 4.92 6.35 0 j73
1 29 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 30 1 c/t-(c/d) 0 0.0 1.0 1 1.0j73
1 30 2 1 29.013 2 9.539 2 2.56 3.54 3.50 4.92 5.34 5.50 5.80 0 j73
1 30 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 37 1 c/t-(c/t) 0 0.0 1.0 1 1.0j73
1 37 2 5 28.855 5 6.198 0 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0 j73
1 37 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0j7
1 38 1 c-(c)/3(c/t) 0 0.0 1.0 1 1.0j73
1 38 2 5 4.590 5 -35.720 5 3.95 6.13 7.36 8.12 8.77 8.76 8.12 0 j73
1 38 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0j7