mordred-descriptor/mordred

View on GitHub
mordred/data/polarizalibity94.txt

Summary

Maintainability
Test Coverage
# Handbook of Chemistry and Physics, 94th Edition, 2013-2014, pg10-188

# 1
 0.666793  #   1 H
 0.2050522 #   2 He

# 2
24.33      #   3 Li
 5.60      #   4 Be
 3.03      #   5 B
 1.67      #   6 C
 1.10      #   7 N
 0.802     #   8 O
 0.557     #   9 F
 0.39432   #  10 Ne

# 3
24.11      #  11 Na
10.6       #  12 Mg
 6.8       #  13 Al
 5.53      #  14 Si
 3.63      #  15 P
 2.90      #  16 S
 2.18      #  17 Cl
 1.6411    #  18 Ar

# 4
43.06      #  19 K
22.8       #  20 Ca
17.8       #  21 Sc
14.6       #  22 Ti
12.4       #  23 V
11.6       #  24 Cr
 9.4       #  25 Mn
 8.4       #  26 Fe
 7.5       #  27 Co
 6.8       #  28 Ni
 6.2       #  29 Cu
 5.75      #  30 Zn
 8.12      #  31 Ga
 5.84      #  32 Ge
 4.31      #  33 As
 3.77      #  34 Se
 3.05      #  35 Br
 2.4844    #  36 Kr

# 5
47.24      #  37 Rb
23.5       #  38 Sr
22.7       #  39 Y
17.9       #  40 Zr
15.7       #  41 Nb
12.8       #  42 Mo
11.4       #  43 Tc
 9.6       #  44 Ru
 8.6       #  45 Rh
 4.8       #  46 Pd
 6.78      #  47 Ag
 7.36      #  48 Cd
10.2       #  49 In
 7.84      #  50 Sn
 6.6       #  51 Sb
 5.5       #  52 Te
 5.35      #  53 I
 4.044     #  54 Xe

# 6
59.42      #  55 Cs
39.7       #  56 Ba

# Lanthanoid
31.1       #  57 La
29.6       #  58 Ce
28.2       #  59 Pr
31.4       #  60 Nd
30.1       #  61 Pm
28.8       #  62 Sm
27.7       #  63 Eu
23.5       #  64 Gd
25.5       #  65 Tb
24.5       #  66 Dy
23.6       #  67 Ho
22.7       #  68 Er
21.8       #  69 Tm
20.9       #  70 Yb
21.9       #  71 Lu

# 6 cont.
16.2       #  72 Hf
13.1       #  73 Ta
11.1       #  74 W
 9.7       #  75 Re
 8.5       #  76 Os
 7.6       #  77 Ir
 6.5       #  78 Pt
 5.8       #  79 Au
 5.02      #  80 Hg
 7.6       #  81 Tl
 7.01      #  82 Pb
 7.4       #  83 Bi
 6.8       #  84 Po
 6.0       #  85 At
 5.3       #  86 Rn

# 7
48.6       #  87 Fr
38.3       #  88 Ra

# Actinoid
32.1       #  89 Ac
32.1       #  90 Th
25.4       #  91 Pa
24.9       #  92 U
24.8       #  93 Np
24.5       #  94 Pu
23.3       #  95 Am
23.0       #  96 Cm
22.7       #  97 Bk
20.5       #  98 Cf
19.7       #  99 Es
23.8       # 100 Fm
18.2       # 101 Md
16.4       # 102 No
-          # 103 Lr

# 7 cont.
-          # 104 Rf
-          # 105 Db
-          # 106 Sg
-          # 107 Bh
-          # 108 Hs
-          # 109 Mt
-          # 110 Ds
-          # 111 Rg
 4.06      # 112 Cn
-          # 113
 4.59      # 114 Fl
-          # 115
-          # 116 Lv
-          # 117
-          # 118

# 8
24.26      # 119