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Table B.2

Species-to-species rate coefficients for the system calculated from the state-to-state data by Hugo et al. (2009).

Chemical reaction α β γ

pH2 −→ oH2 1.42(–09) −0.37 177.24
pH2 −→ oH2 8.14(–10) −0.74 227.61
oH2 −→ pH2 1.93(–10) −0.18 1.03
oH2 −→ pH2 1.75(–10) −0.27 1.66
oH2 −→ oH2 5.89(–10) −0.17 35.67
HD −→ HD 1.79(–10) 0.59 23.32
HD −→ pH2D+ pH2 1.17(–10) −0.39 2.70
HD −→ pH2D+ oH2 2.51(–10) −0.27 3.27
HD −→ oH2D+ pH2 2.94(–10) −0.30 1.67
HD −→ oH2D+ oH2 1.22(–09) 0.33 22.40
pD2 −→ pH2D+ HD 4.00(–10) 0.06 −1.07
pD2 −→ oH2D+ HD 4.70(–10) −0.03 0.24
pD2 −→ pD2H+ pH2 2.62(–10) −0.06 0.51
pD2 −→ pD2H+ oH2 4.10(–10) 0.00 0.67
oD2 −→ pH2D+ HD 5.33(–10) 0.24 −1.63
oD2 −→ oH2D+ HD 6.01(–10) 0.40 −3.90
oD2 −→ oD2H+ pH2 2.60(–10) −0.26 2.13
oD2 −→ oD2H+ oH2 4.04(–10) −0.13 1.32
pH2 −→ oH2 1.81(–09) 0.35 120.14
pH2 −→ oH2 8.08(–10) −0.08 172.87
oH2 −→ pH2 1.28(–10) 0.08 −0.65
oH2 −→ oH2 4.12(–10) 0.02 −0.46
oH2 −→ pH2 9.72(–11) 0.00 −0.18
HD −→ HD 8.09(–11) 0.46 −5.05
HD −→ pH2D+ oH2 1.60(–10) −0.02 −0.37
HD −→ oH2D+ pH2 1.54(–10) −0.15 0.98
HD −→ oH2D+ oH2 1.14(–09) 0.01 0.33
pD2 −→ oH2D+ HD 9.09(–10) 0.05 −0.43
pD2 −→ pD2H+ oH2 6.49(–10) −0.06 0.50
oD2 −→ oH2D+ HD 1.20(–09) 0.33 −0.64
oD2 −→ oD2H+ oH2 6.18(–10) −0.21 1.14
pH2D+ pH2 −→ HD 7.40(–10) −0.17 213.39
pH2D+ pH2 −→ oH2D+ oH2 2.14(–09) −0.80 273.47
pH2D+ oH2 −→ HD 1.42(–10) −0.32 57.24
pH2D+ oH2 −→ HD 1.21(–10) −0.30 90.69
pH2D+ oH2 −→ oH2D+ pH2 5.06(–10) −0.38 3.59
pH2D+ oH2 −→ oH2D+ oH2 6.34(–10) −0.53 93.03
pH2D+ HD −→ pD2 1.04(–11) −1.45 261.81
pH2D+ HD −→ oD2 1.04(–11) −1.16 171.05
pH2D+ HD −→ oH2D+ HD 8.56(–10) −0.10 88.35
pH2D+ HD −→ pD2H+ pH2 8.67(–11) −0.64 5.32
pH2D+ HD −→ pD2H+ oH2 1.01(–10) −0.75 53.20
pH2D+ HD −→ oD2H+ pH2 2.35(–10) −0.48 4.82
pH2D+ HD −→ oD2H+ oH2 4.68(–10) 0.35 −3.54
pH2D+ pD2 −→ pH2D+ oD2 3.43(–11) −0.12 −0.20
pH2D+ pD2 −→ pD2H+ HD 6.90(–10) 0.01 −0.24
pH2D+ pD2 −→ oD2H+ HD 5.61(–10) 0.01 0.73
pH2D+ pD2 −→ pH2 5.76(–12) −0.44 3.28
pH2D+ pD2 −→ pH2 5.75(–11) −0.37 2.15
pH2D+ oD2 −→ pH2D+ pD2 8.48(–11) 0.28 73.59
pH2D+ oD2 −→ pD2H+ HD 2.67(–10) 0.02 −0.74
pH2D+ oD2 −→ oD2H+ HD 1.24(–09) 0.21 −1.22
pH2D+ oD2 −→ pH2 3.84(–11) −0.73 5.72
pH2D+ oD2 −→ pH2 4.65(–11) −0.52 4.94
oH2D+ pH2 −→ HD 2.75(–10) 0.00 134.16
oH2D+ pH2 −→ HD 2.05(–10) −0.06 170.71
oH2D+ pH2 −→ pH2D+ oH2 7.11(–10) −0.18 87.45
oH2D+ pH2 −→ oH2D+ oH2 1.01(–09) −0.36 177.14
oH2D+ oH2 −→ HD 7.89(–11) 0.27 −3.90
oH2D+ oH2 −→ HD 1.34(–10) −0.09 6.68
oH2D+ oH2 −→ pH2D+ pH2 7.50(–11) −0.01 −1.20
oH2D+ oH2 −→ pH2D+ oH2 1.44(–10) −0.04 −0.69
oH2D+ oH2 −→ oH2D+ pH2 1.44(–10) −0.16 0.57
oH2D+ HD −→ pD2 2.64(–12) −1.09 170.11
oH2D+ HD −→ oD2 5.27(–12) −0.02 63.56
oH2D+ HD −→ pD2 5.21(–12) −1.48 215.41
oH2D+ HD −→ oD2 5.61(–12) −1.05 124.66
oH2D+ HD −→ pH2D+ HD 1.72(–10) 0.31 −3.57
oH2D+ HD −→ pD2H+ pH2 3.29(–11) −0.29 3.05
oH2D+ HD −→ pD2H+ oH2 2.03(–10) −0.15 0.71
oH2D+ HD −→ oD2H+ pH2 6.27(–11) −0.37 3.48
oH2D+ HD −→ oD2H+ oH2 4.67(–10) −0.03 −0.37
oH2D+ pD2 −→ oH2D+ oD2 8.06(–11) 0.30 −2.45
oH2D+ pD2 −→ pD2H+ HD 5.85(–10) −0.05 0.66
oH2D+ pD2 −→ oD2H+ HD 5.14(–10) −0.01 −0.42
oH2D+ pD2 −→ oH2 1.37(–11) −0.03 −0.22
oH2D+ pD2 −→ oH2 1.10(–10) −0.09 1.37
oH2D+ oD2 −→ oH2D+ pD2 1.14(–10) 0.27 83.43
oH2D+ oD2 −→ pD2H+ HD 2.66(–10) −0.02 −0.14
oH2D+ oD2 −→ oD2H+ HD 9.31(–10) 0.02 0.31
oH2D+ oD2 −→ oH2 7.27(–11) −0.32 1.17
oH2D+ oD2 −→ oH2 5.98(–11) −0.10 −0.23
pD2H+ pH2 −→ pD2 7.42(–11) −0.86 394.53
pD2H+ pH2 −→ pH2D+ HD 1.01(–09) 0.25 123.29
pD2H+ pH2 −→ oH2D+ HD 1.59(–09) 0.09 214.73
pD2H+ pH2 −→ pD2H+ oH2 8.80(–10) −0.55 179.84
pD2H+ oH2 −→ pD2 1.52(–11) −0.57 213.77
pD2H+ oH2 −→ pD2 2.86(–11) −1.00 256.20
pD2H+ oH2 −→ pH2D+ HD 1.87(–10) 0.35 −1.16
pD2H+ oH2 −→ oH2D+ HD 1.04(–09) 0.13 48.21
pD2H+ oH2 −→ pD2H+ pH2 1.32(–10) −0.30 2.00
pD2H+ HD −→ pH2D+ pD2 4.13(–11) −0.62 161.34
pD2H+ HD −→ pH2D+ oD2 2.10(–11) −0.08 60.78
pD2H+ HD −→ oH2D+ pD2 1.46(–10) −1.20 256.64
pD2H+ HD −→ oH2D+ oD2 5.75(–11) −0.94 162.01
pD2H+ HD −→ oD2H+ HD 8.96(–10) 0.40 −1.70
pD2H+ HD −→ pH2 3.85(–12) −0.54 4.06
pD2H+ HD −→ oH2 1.27(–11) −0.47 3.28
pD2H+ HD −→ pH2 3.46(–11) −0.47 3.44
pD2H+ HD −→ oH2 1.26(–10) −0.46 4.90
pD2H+ pD2 −→ pD2H+ oD2 5.69(–11) 0.04 −0.31
pD2H+ pD2 −→ oD2H+ pD2 1.30(–10) 0.42 −0.27
pD2H+ pD2 −→ oD2H+ oD2 2.16(–10) 0.18 −0.50
pD2H+ pD2 −→ HD 6.88(–11) −0.09 −0.46
pD2H+ pD2 −→ HD 5.68(–10) −0.15 1.24
pD2H+ oD2 −→ pD2H+ pD2 8.79(–11) 0.09 83.09
pD2H+ oD2 −→ oD2H+ pD2 5.42(–10) 0.72 19.46
pD2H+ oD2 −→ oD2H+ oD2 2.02(–10) 0.30 1.23
pD2H+ oD2 −→ HD 4.15(–11) −0.25 2.60
pD2H+ oD2 −→ HD 2.22(–10) −0.12 1.36
pD2H+ oD2 −→ HD 5.00(–10) −0.16 0.80
oD2H+ pH2 −→ oD2 2.91(–11) −1.40 353.47
oD2H+ pH2 −→ pH2D+ HD 6.07(–10) −0.87 203.31
oD2H+ pH2 −→ oH2D+ HD 6.16(–10) −1.39 300.70
oD2H+ pH2 −→ oD2H+ oH2 5.34(–10) −1.14 193.88
oD2H+ oH2 −→ oD2 4.64(–12) −1.37 188.25
oD2H+ oH2 −→ oD2 6.58(–12) −2.06 239.97
oD2H+ oH2 −→ pH2D+ HD 2.66(–10) 0.46 11.97
oD2H+ oH2 −→ oH2D+ HD 8.45(–10) −0.66 115.31
oD2H+ oH2 −→ oD2H+ pH2 1.46(–10) −0.44 3.82
oD2H+ HD −→ pH2D+ pD2 9.97(–12) −1.67 236.78
oD2H+ HD −→ pH2D+ oD2 2.15(–11) −1.17 139.52
oD2H+ HD −→ oH2D+ pD2 3.48(–11) −2.28 330.99
oD2H+ HD −→ oH2D+ oD2 7.34(–11) −1.78 230.75
oD2H+ HD −→ pD2H+ HD 2.72(–10) −0.62 69.59
oD2H+ HD −→ pH2 2.37(–11) −0.74 6.96
oD2H+ HD −→ oH2 6.19(–11) −0.50 4.40
oD2H+ HD −→ pH2 1.53(–11) −0.83 7.48
oD2H+ HD −→ oH2 5.42(–11) −0.70 6.20
oD2H+ pD2 −→ pD2H+ pD2 3.80(–11) −0.62 71.62
oD2H+ pD2 −→ pD2H+ oD2 1.33(–10) −0.15 0.53
oD2H+ pD2 −→ oD2H+ oD2 1.83(–10) 0.22 −2.66
oD2H+ pD2 −→ HD 2.36(–11) −0.44 3.04
oD2H+ pD2 −→ HD 1.89(–10) −0.15 0.59
oD2H+ pD2 −→ HD 4.89(–10) −0.13 2.34
oD2H+ oD2 −→ pD2H+ pD2 9.14(–11) −0.90 159.33
oD2H+ oD2 −→ pD2H+ oD2 6.93(–11) −0.61 69.16
oD2H+ oD2 −→ oD2H+ pD2 3.00(–10) 0.28 81.83
oD2H+ oD2 −→ HD 4.74(–10) −0.09 0.85
oD2H+ oD2 −→ HD 3.38(–10) −0.23 2.65
pH2 −→ pH2D+ pD2 1.96(–09) 0.68 344.03
pH2 −→ pD2H+ HD 3.62(–09) −0.39 238.52
oH2 −→ oH2D+ pD2 7.22(–10) −0.45 303.14
oH2 −→ pD2H+ HD 2.64(–09) 0.27 47.76
HD −→ pD2H+ pD2 6.50(–10) −0.91 260.24
HD −→ pD2H+ oD2 2.31(–10) −1.11 174.72
HD −→ oD2H+ pD2 8.52(–10) −0.03 181.52
HD −→ HD 9.52(–10) 0.08 −0.75
pD2 −→ pD2 6.56(–10) 0.15 −1.79
pD2 −→ oD2 4.72(–10) −0.01 0.63
oD2 −→ pD2 1.65(–10) −0.42 27.29
oD2 −→ pD2 1.80(–09) 0.59 60.95
oD2 −→ oD2 4.12(–10) −0.17 0.87
pH2 −→ pH2D+ oD2 3.30(–10) −1.45 390.21
pH2 −→ oD2H+ HD 3.22(–09) −1.02 274.22
oH2 −→ oH2D+ oD2 2.21(–10) −1.80 318.06
oH2 −→ oD2H+ HD 5.99(–09) 0.75 52.09
HD −→ pD2H+ oD2 1.66(–10) −1.63 258.59
HD −→ oD2H+ pD2 3.94(–10) −1.20 294.37
HD −→ oD2H+ oD2 1.15(–09) −0.54 182.20
HD −→ HD 8.30(–10) 0.02 51.36
pD2 −→ oD2 3.27(–11) −0.40 3.26
pD2 −→ oD2 2.18(–10) 0.19 −2.60
pD2 −→ pD2 2.86(–10) 0.53 36.78
pD2 −→ oD2 8.00(–10) 0.11 −0.43
oD2 −→ pD2 8.10(–10) 0.89 62.98
oD2 −→ pD2 6.65(–10) −0.49 185.75
oD2 −→ oD2 7.07(–10) 0.04 44.78
pH2 −→ pH2D+ pD2 5.19(–10) −0.18 382.47
pH2 −→ pH2D+ oD2 1.64(–10) −0.77 313.00
pH2 −→ pD2H+ HD 1.80(–09) −0.50 245.65
pH2 −→ oD2H+ HD 1.49(–09) −0.20 185.34
oH2 −→ oH2D+ pD2 2.57(–10) −0.92 322.22
oH2 −→ oH2D+ oD2 1.65(–10) −0.46 219.74
oH2 −→ pD2H+ HD 6.51(–10) −0.60 81.43
oH2 −→ oD2H+ HD 5.87(–10) −0.13 18.58
HD −→ pD2H+ pD2 1.89(–10) −1.50 279.68
HD −→ pD2H+ oD2 1.53(–10) −1.29 188.29
HD −→ oD2H+ pD2 4.05(–10) −0.68 215.58
HD −→ oD2H+ oD2 2.79(–10) −0.47 121.84
HD −→ HD 3.64(–11) −0.47 22.41
HD −→ HD 2.10(–10) −0.07 0.41
pD2 −→ pD2 2.84(–11) −0.32 19.75
pD2 −→ oD2 4.38(–11) −0.00 −0.31
pD2 −→ pD2 3.67(–11) −0.07 0.12
pD2 −→ oD2 6.32(–10) 1.00 −8.33
pD2 −→ oD2 3.59(–10) −0.21 1.79
oD2 −→ pD2 1.88(–11) −0.82 116.09
oD2 −→ oD2 1.60(–11) −0.72 24.05
oD2 −→ pD2 1.53(–10) −0.49 47.95
oD2 −→ oD2 1.25(–10) −0.33 2.43
oD2 −→ pD2 3.56(–10) −0.49 94.40

Notes. The fit parameters α, β, and γ correspond to the modified Arrhenius rate law k = α (T/ 300)β exp(−γ/T). The fit is valid in the temperature range 5–50 K, and for a range of medium densities limited by the critical density (see the main text). Reactions forbidden by spin selection rules and identity reactions were omitted. The notation a(b) denotes a × 10b.

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