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comparison CADDSuite-1.0.1/data/QSAR/atomic_polarizabilities.data @ 26:2f19ad95a19d

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Uploaded https://github.com/downloads/CADDSuite/main/CADDSuite_1.0.1_Linux_x86-64.tar.gz
author greg
date Tue, 15 Nov 2011 11:55:29 -0500
parents 389056b8864a
children
comparison
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25:a4ddf6ef032d 26:2f19ad95a19d
1 # atomic ground state polarizabilities, taken from CRC Handbook of Chemistry and Physics, 79th edition, 1998
2 0.666793
3 0.204956
4 24.3
5 5.6
6 3.03
7 1.76
8 1.1
9 0.802
10 0.557
11 0.3956
12 24.08
13 10.6
14 6.8
15 5.38
16 3.63
17 2.9
18 2.18
19 1.6411
20 43.4
21 22.8
22 17.8
23 14.6
24 12.4
25 11.6
26 9.4
27 8.4
28 7.5
29 6.8
30 6.1
31 7.1
32 8.12
33 6.07
34 4.31
35 3.77
36 3.05
37 2.4844
38 47.3
39 27.6
40 22.7
41 17.9
42 15.7
43 12.8
44 11.4
45 9.6
46 8.6
47 4.8
48 7.2
49 7.2
50 10.2
51 7.7
52 6.6
53 5.5
54 5.35
55 4.044
56 59.6
57 39.7
58 31.1
59 29.6
60 28.2
61 31.4
62 30.1
63 28.8
64 27.7
65 23.5
66 25.5
67 24.5
68 23.6
69 22.7
70 21.8
71 21.0
72 21.9
73 16.2
74 13.1
75 11.1
76 9.7
77 8.5
78 7.6
79 6.5
80 5.8
81 5.7
82 7.6
83 6.8
84 7.4
85 6.8
86 6.0
87 5.3
88 48.7
89 38.3
90 32.1
91 32.1
92 25.4
93 24.9
94 24.8
95 24.5
96 23.3
97 23.0
98 22.7
99 20.5
100 19.7
101