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comparison CADDSuite-1.0.1/data/QSAR/atomic_polarizabilities.data @ 23:389056b8864a

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Uploaded https://github.com/downloads/CADDSuite/main/CADDSuite_1.0.1_Linux_x86-64.tar.gz
author greg
date Mon, 14 Nov 2011 17:02:30 -0500
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22:2615b9ede2c4 23:389056b8864a
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