comparison CADDSuite/data/QSAR/atomic_polarizabilities.data @ 0:8ce0411aaeb3

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author marcel
date Sun, 26 Jun 2011 14:01:09 -0400
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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