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comparison CADDSuite-1.6/data/QSAR/atomic_polarizabilities.data @ 10:eda78e0f5df6 draft default tip

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author marcel
date Sun, 30 Nov 2014 03:46:08 -0500
parents 488032d372e1
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9:488032d372e1 10:eda78e0f5df6
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