Mercurial > repos > marcel > caddsuite_mac10_6
comparison CADDSuite-1.6/data/QSAR/atomic_electron_affinities.data @ 8:dbb480e39d95 draft
Uploaded
author | marcel |
---|---|
date | Sat, 15 Dec 2012 13:15:46 -0500 |
parents | |
children |
comparison
equal
deleted
inserted
replaced
7:bfab27640f5e | 8:dbb480e39d95 |
---|---|
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 |