Mercurial > repos > marcel > caddsuite_linux_x86_64
annotate CADDSuite-1.5/data/QSAR/atomic_electron_affinities.data @ 15:ac342506cd4e draft
CADDSuite version 1.5
author | Marcel Schumann <schumann.marcel@gmail.com> |
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date | Tue, 24 Jul 2012 11:08:49 -0400 |
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1 # atomic electron affinities, taken from CRC Handbook of Chemistry and Physics, 79th edition, 1998; non-excistant values like unstable ions have 0.0 |
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2 0.754593 |
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3 0.0 |
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4 0.6180 |
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5 0.0 |
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6 0.277 |
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7 1.2629 |
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8 0.0 |
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9 1.4611103 |
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10 3.401190 |
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11 0.0 |
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12 0.547926 |
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13 0.0 |
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14 0.441 |
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15 1.385 |
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16 0.7465 |
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17 2.077104 |
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18 3.61269 |
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19 0.0 |
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20 0.50147 |
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21 0.02455 |
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22 0.188 |
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23 0.079 |
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24 0.525 |
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25 0.666 |
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26 0.0 |
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28 0.662 |
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29 1.156 |
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30 1.235 |
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31 0.0 |
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32 0.3 |
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33 1.233 |
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34 0.81 |
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35 2.020670 |
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36 3.363590 |
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37 0.0 |
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43 0.748 |
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44 0.55 |
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45 1.05 |
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46 1.137 |
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47 0.562 |
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48 1.302 |
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49 0.0 |
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50 0.3 |
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51 1.112 |
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52 1.046 |
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54 3.059038 |
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62 0.0 |
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63 0.0 |
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76 0.15 |
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77 1.1 |
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78 1.5638 |
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85 1.9 |
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86 2.8 |
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87 0.0 |
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88 0.46 |