mordred-descriptor/mordred

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mordred/data/van_der_waals_radii.txt

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# Handbook of Chemistry and Physics, 94th Edition, 2013-2014, pg9-49

# 1
1.10 #   1 H
1.40 #   2 He

# 2
1.82 #   3 Li
1.53 #   4 Be
1.92 #   5 B
1.70 #   6 C
1.55 #   7 N
1.52 #   8 O
1.47 #   9 F
1.54 #  10 Ne

# 3
2.27 #  11 Na
1.73 #  12 Mg
1.84 #  13 Al
2.10 #  14 Si
1.80 #  15 P
1.80 #  16 S
1.75 #  17 Cl
1.88 #  18 Ar

# 4
2.75 #  19 K
2.31 #  20 Ca
2.15 #  21 Sc
2.11 #  22 Ti
2.07 #  23 V
2.06 #  24 Cr
2.05 #  25 Mn
2.04 #  26 Fe
2.00 #  27 Co
1.97 #  28 Ni
1.96 #  29 Cu
2.01 #  30 Zn
1.87 #  31 Ga
2.11 #  32 Ge
1.85 #  33 As
1.90 #  34 Se
1.85 #  35 Br
2.02 #  36 Kr

# 5
3.03 #  37 Rb
2.49 #  38 Sr
2.32 #  39 Y
2.23 #  40 Zr
2.18 #  41 Nb
2.17 #  42 Mo
2.16 #  43 Tc
2.13 #  44 Ru
2.10 #  45 Rh
2.10 #  46 Pd
2.11 #  47 Ag
2.18 #  48 Cd
1.93 #  49 In
2.17 #  50 Sn
2.06 #  51 Sb
2.06 #  52 Te
1.98 #  53 I
2.16 #  54 Xe

# 6
3.43 #  55 Cs
2.68 #  56 Ba

# Lanthanoid
2.43 #  57 La
2.42 #  58 Ce
2.40 #  59 Pr
2.39 #  60 Nd
2.38 #  61 Pm
2.36 #  62 Sm
2.35 #  63 Eu
2.34 #  64 Gd
2.33 #  65 Tb
2.31 #  66 Dy
2.30 #  67 Ho
2.29 #  68 Er
2.27 #  69 Tm
2.26 #  70 Yb
2.24 #  71 Lu

# 6 cont.
2.23 #  72 Hf
2.22 #  73 Ta
2.18 #  74 W
2.16 #  75 Re
2.16 #  76 Os
2.13 #  77 Ir
2.13 #  78 Pt
2.14 #  79 Au
2.23 #  80 Hg
1.96 #  81 Tl
2.02 #  82 Pb
2.07 #  83 Bi
1.97 #  84 Po
2.02 #  85 At
2.20 #  86 Rn

# 7
3.48 #  87 Fr
2.83 #  88 Ra

# Actinoid
2.47 #  89 Ac
2.45 #  90 Th
2.43 #  91 Pa
2.41 #  92 U
2.39 #  93 Np
2.43 #  94 Pu
2.44 #  95 Am
2.45 #  96 Cm
2.44 #  97 Bk
2.45 #  98 Cf
2.45 #  99 Es
2.45 # 100 Fm
2.46 # 101 Md
2.46 # 102 No
2.46 # 103 Lr