mordred-descriptor/mordred

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mordred/data/ionization_potential.txt

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# Handbook of Chemistry and Physics, 94th Edition, 2013-2014, pg10-197

# 1
13.598443  #   1 H
24.587387  #   2 He

# 2
 5.391719  #   3 Li
 9.32270   #   4 Be
 8.29802   #   5 B
11.26030   #   6 C
14.5341    #   7 N
13.61805   #   8 O
17.4228    #   9 F
21.56454   #  10 Ne

# 3
 5.139076  #  11 Na
 7.646235  #  12 Mg
 5.985768  #  13 Al
 8.15168   #  14 Si
10.48669   #  15 P
10.36001   #  16 S
12.96763   #  17 Cl
15.759610  #  18 Ar

# 4
 4.3406633 #  19 K
 6.11316   #  20 Ca
 6.56149   #  21 Sc
 6.82812   #  22 Ti
 6.74619   #  23 V
 6.76651   #  24 Cr
 7.43402   #  25 Mn
 7.9024    #  26 Fe
 7.88101   #  27 Co
 7.6398    #  28 Ni
 7.72638   #  29 Cu
 9.394199  #  30 Zn
 5.999301  #  31 Ga
 7.89943   #  32 Ge
 9.7886    #  33 As
 9.75239   #  34 Se
11.8138    #  35 Br
13.99961   #  36 Kr

# 5
 4.177128  #  37 Rb
 5.69485   #  38 Sr
 6.2173    #  39 Y
 6.63390   #  40 Zr
 6.75885   #  41 Nb
 7.09243   #  42 Mo
 7.28      #  43 Tc
 7.36050   #  44 Ru
 7.45890   #  45 Rh
 8.3369    #  46 Pd
 7.57623   #  47 Ag
 8.99382   #  48 Cd
 5.78636   #  49 In
 7.34392   #  50 Sn
 8.60839   #  51 Sb
 9.0096    #  52 Te
10.45126   #  53 I
12.12984   #  54 Xe

# 6
 3.893905  #  55 Cs
 5.211664  #  56 Ba

# Lanthanoid
 5.5769    #  57 La
 5.5387    #  58 Ce
 5.473     #  59 Pr
 5.5250    #  60 Nd
 5.582     #  61 Pm
 5.6437    #  62 Sm
 5.67038   #  63 Eu
 6.14980   #  64 Gd
 5.8638    #  65 Tb
 5.9389    #  66 Dy
 6.0215    #  67 Ho
 6.1077    #  68 Er
 6.18431   #  69 Tm
 6.25416   #  70 Yb
 5.42586   #  71 Lu

# 6 cont.
 6.82507   #  72 Hf
 7.54957   #  73 Ta
 7.86403   #  74 W
 7.83352   #  75 Re
 8.43823   #  76 Os
 8.96702   #  77 Ir
 8.9588    #  78 Pt
 9.22553   #  79 Au
10.4375    #  80 Hg
 6.108194  #  81 Tl
 7.41663   #  82 Pb
 7.2855    #  83 Bi
 8.414     #  84 Po
-          #  85 At
10.7485    #  86 Rn

# 7
 4.072741  #  87 Fr
 5.278423  #  88 Ra

# Actinoid
 5.17      #  89 Ac
 6.3067    #  90 Th
 5.89      #  91 Pa
 6.1941    #  92 U
 6.2657    #  93 Np
 6.0260    #  94 Pu
 5.9738    #  95 Am
 5.9914    #  96 Cm
 6.1979    #  97 Bk
 6.2817    #  98 Cf
 6.42      #  99 Es
 6.50      # 100 Fm
 6.58      # 101 Md
 6.65      # 102 No
 4.9       # 103 Lr

# 7 cont.
 6.0       # 104 Rf