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comparison CADDSuite/data/QSAR/atomic_ionization_potentials.data @ 0:bac3c274238f

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Migrated tool version 0.93 from old tool shed archive to new tool shed repository
author marcel
date Tue, 07 Jun 2011 16:43:30 -0400
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-1:000000000000 0:bac3c274238f
1 # atomic ionization potentials (neutral atom and +1 ion), CRC Handbook of Chemistry and Physics, 79th edition, 1998
2 13.59844 20.02
3 24.58741 54.41778
4 5.39172 75.64018
5 9.3227 18.21116
6 8.29803 25.15484
7 11.26030 24.38332
8 14.53414 29.6013
9 13.61806 35.11730
10 17.42282 34.97082
11 21.5646 40.96328
12 5.13908 47.2864
13 7.64624 15.03528
14 5.98577 18.82856
15 8.15169 16.34585
16 10.48669 19.7694
17 10.36001 23.3379
18 12.96764 23.814
19 15.75962 27.62967
20 4.34066 31.63
21 6.11316 11.87172
22 6.5615 12.79967
23 6.8281 13.5755
24 6.7463 14.66
25 6.7665 16.4857
26 7.43402 15.63999
27 7.9024 16.1878
28 7.8810 17.083
29 7.6398 18.16884
30 7.72638 20.29240
31 9.3942 17.96440
32 5.99930 20.5142
33 7.8994 15.93462
34 9.7886 18.633
35 9.75238 21.19
36 11.81381 21.8
37 13.99961 24.35985
38 4.17713 27.285
39 5.6949 11.03013
40 6.2171 12.24
41 6.63390 13.13
42 6.75885 14.32
43 7.09243 16.16
44 7.28 15.26
45 7.36050 16.76
46 7.45890 18.08
47 8.3369 19.43
48 7.5763 21.49
49 8.9938 16.90832
50 5.78636 18.8698
51 7.3439 14.63225
52 8.6084 16.53051
53 9.0096 18.6
54 10.45126 19.1313
55 12.1298 21.20979
56 3.89390 23.15745
57 5.21170 10.00390
58 5.770 11.060
59 5.5387 10.85
60 5.464 10.55
61 5.5250 10.73
62 5.58 10.9
63 5.6436 11.07
64 5.6704 11.241
65 6.1501 12.09
66 5.8638 11.52
67 5.9389 11.67
68 6.0215 11.80
69 6.1077 11.93
70 6.18431 12.05
71 6.25416 12.1761
72 5.4259 13.9
73 6.82507 14.9