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comparison CADDSuite/data/QSAR/atomic_electron_affinities.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 electron affinities, taken from CRC Handbook of Chemistry and Physics, 79th edition, 1998; non-excistant values like unstable ions have 0.0
2 0.754593
3 0.0
4 0.6180
5 0.0
6 0.277
7 1.2629
8 0.0
9 1.4611103
10 3.401190
11 0.0
12 0.547926
13 0.0
14 0.441
15 1.385
16 0.7465
17 2.077104
18 3.61269
19 0.0
20 0.50147
21 0.02455
22 0.188
23 0.079
24 0.525
25 0.666
26 0.0
27 0.151
28 0.662
29 1.156
30 1.235
31 0.0
32 0.3
33 1.233
34 0.81
35 2.020670
36 3.363590
37 0.0
38 0.48592
39 0.048
40 0.307
41 0.426
42 0.893
43 0.748
44 0.55
45 1.05
46 1.137
47 0.562
48 1.302
49 0.0
50 0.3
51 1.112
52 1.046
53 1.9708
54 3.059038
55 0.0
56 0.471626
57 0.15
58 0.5
59 0.0
60 0.0
61 0.0
62 0.0
63 0.0
64 0.0
65 0.0
66 0.0
67 0.0
68 0.0
69 0.0
70 0.0
71 0.0
72 0.0
73 0.0
74 0.322
75 0.815
76 0.15
77 1.1
78 1.5638
79 2.128
80 2.30863
81 0.0
82 0.2
83 0.364
84 0.946
85 1.9
86 2.8
87 0.0
88 0.46