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Table A.3
Zero point energy differences ΔE between the reactants and products for the isotope fractionation reactions of H/DCO+ and H/DOC+ with CO.
| Label | Reaction | ΔE/K | Label | Reaction | ΔE/K | |
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| 13C++12C16O →12C++13C16O | 34.5 | |||||
| 13C++12C17O →12C++13C17O | 35.0 | |||||
| 13C++12C18O →12C++13C18O | 35.4 | |||||
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|
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| F1 | H12C16O++13C16O → H13C16O++12C16O | 17.8 | I1 | H16O12C++13C16O → H16O13C++12C16O | –2.3 | |
| F2 | H12C18O++13C18O → H13C18O++12C18O | 17.8 | I2 | H18O12C++13C18O → H18O13C++12C18O | –2.4 | |
| F3 | H12C16O++12C18O → H12C18O++12C16O | 6.4 | I3 | H16O12C++12C18O → H18O12C++12C16O | 5.3 | |
| F4 | H13C16O++13C18O → H13C18O++13C16O | 6.4 | I4 | H16O13C++13C18O → H18O13C++13C16O | 5.2 | |
| F5 | H12C16O++13C18O → H13C18O++12C16O | 24.2 | I5 | H16O12C++13C18O → H18O13C++12C16O | 3.0 | |
| F6 | H12C18O++13C16O → H13C16O++12C18O | 11.4 | I6 | H18O12C++13C16O → H16O13C++12C18O | –7.6 | |
| F7 | H12C16O++12C17O → H12C17O++12C16O | 3.4 | I7 | H16O12C++12C17O → H17O12C++12C16O | 2.8 | |
| F8 | H13C16O++13C17O → H13C17O++13C16O | 3.4 | I8 | H16O13C++13C17O → H17O13C++13C16O | 2.8 | |
| F9 | H12C17O++12C18O → H12C18O++12C17O | 3.0 | I9 | H17O12C++12C18O → H18O12C++12C17O | 2.5 | |
| F10 | H13C17O++13C18O → H13C18O++13C17O | 3.0 | I10 | H17O13C++13C18O → H18O13C++13C17O | 2.5 | |
| F11 | H12C16O++13C17O → H13C17O++12C16O | 21.2 | I11 | H16O12C++13C17O → H17O13C++12C16O | 0.5 | |
| F12 | H12C17O++13C17O → H13C17O++12C17O | 17.8 | I12 | H17O12C++13C17O → H17O13C++12C17O | –2.3 | |
| F13 | H12C18O++13C17O → H13C17O++12C18O | 14.8 | I13 | H18O12C++13C17O → H17O13C++12C18O | –4.8 | |
| F14 | H12C17O++13C16O → H13C16O++12C17O | 14.4 | I14 | H17O12C++13C16O → H16O13C++12C17O | –5.1 | |
| F15 | H12C17O++13C18O → H13C18O++12C17O | 20.8 | I15 | H17O12C++13C18O → H18O13C++12C17O | 0.1 | |
| F1(D) | D12C16O++13C16O → D13C16O++12C16O | 21.7 | I1(D) | D16O12C++13C16O → D16O13C++12C16O | –1.8 | |
| F2(D) | D12C18O++13C18O → D13C18O++12C18O | 21.7 | I2(D) | D18O12C++13C18O → D18O13C++12C18O | –1.9 | |
| F3(D) | D12C16O++12C18O → D12C18O++12C16O | 7.7 | I3(D) | D16O12C++12C18O → D18O12C++12C16O | 8.0 | |
| F4(D) | D13C16O++13C18O → D13C18O++13C16O | 7.7 | I4(D) | D16O13C++13C18O → D18O13C++13C16O | 7.8 | |
| F5(D) | D12C16O++13C18O → D13C18O++12C16O | 29.4 | I5(D) | D16O12C++13C18O → D18O13C++12C16O | 6.0 | |
| F6(D) | D12C18O++13C16O → D13C16O++12C18O | 14.0 | I6(D) | D18O12C++13C16O → D16O13C++12C18O | –9.8 | |
| F7(D) | D12C16O++12C17O → D12C17O++12C16O | 4.1 | I7(D) | D16O12C++12C17O → D17O12C++12C16O | 4.2 | |
| F8(D) | D13C16O++13C17O → D13C17O++13C16O | 4.1 | I8(D) | D16O13C++13C17O → D17O13C++13C16O | 4.1 | |
| F9(D) | D12C17O++12C18O → D12C18O++12C17O | 3.6 | I9(D) | D17O12C++12C18O → D18O12C++12C17O | 3.8 | |
| F10(D) | D13C17O++13C18O → D13C18O++13C17O | 3.7 | I10(D) | D17O13C++13C18O → D18O13C++13C17O | 3.7 | |
| F11(D) | D12C16O++13C17O → D13C17O++12C16O | 25.8 | I11(D) | D16O12C++13C17O → D17O13C++12C16O | 2.3 | |
| F12(D) | D12C17O++13C17O → D13C17O++12C17O | 21.7 | I12(D) | D17O12C++13C17O → D17O13C++12C17O | –1.9 | |
| F13(D) | D12C18O++13C17O → D13C17O++12C18O | 18.1 | I13(D) | D18O12C++13C17O → D17O13C++12C18O | –5.7 | |
| F14(D) | D12C17O++13C16O → D13C16O++12C17O | 17.6 | I14(D) | D17O12C++13C16O → D16O13C++12C17O | –6.0 | |
| F15(D) | D12C17O++13C18O → D13C18O++12C17O | 25.3 | I15(D) | D17O12C++13C18O → D18O13C++12C17O | 1.8 | |
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