Miguel
Please note that there may be errors in the tables. People have
complained
in the past that some things are too big/small ... but noone wants to
take
the time to verify the tables.
/**
* Default table of van der Waals Radii.
* values are stored as MAR -- Milli Angstrom Radius
* Used for spacefill rendering of atoms.
* Values taken from OpenBabel.
* @see <a
href="http://openbabel.sourceforge.net";>openbabel.sourceforge.net</a>
*/
public final static short[] vanderwaalsMars = {
1000, // 0 Xx big enough to see
1200, // 1 H
1400, // 2 He
1820, // 3 Li
1700, // 4 Be
2080, // 5 B
1950, // 6 C
1850, // 7 N
1700, // 8 O
1730, // 9 F
1540, // 10 Ne
2270, // 11 Na
1730, // 12 Mg
2050, // 13 Al
2100, // 14 Si
2080, // 15 P
2000, // 16 S
1970, // 17 Cl
1880, // 18 Ar
2750, // 19 K
1973, // 20 Ca
1700, // 21 Sc
1700, // 22 Ti
1700, // 23 V
1700, // 24 Cr
1700, // 25 Mn
1700, // 26 Fe
1700, // 27 Co
1630, // 28 Ni
1400, // 29 Cu
1390, // 30 Zn
1870, // 31 Ga
1700, // 32 Ge
1850, // 33 As
1900, // 34 Se
2100, // 35 Br
2020, // 36 Kr
1700, // 37 Rb
1700, // 38 Sr
1700, // 39 Y
1700, // 40 Zr
1700, // 41 Nb
1700, // 42 Mo
1700, // 43 Tc
1700, // 44 Ru
1700, // 45 Rh
1630, // 46 Pd
1720, // 47 Ag
1580, // 48 Cd
1930, // 49 In
2170, // 50 Sn
2200, // 51 Sb
2060, // 52 Te
2150, // 53 I
2160, // 54 Xe
1700, // 55 Cs
1700, // 56 Ba
1700, // 57 La
1700, // 58 Ce
1700, // 59 Pr
1700, // 60 Nd
1700, // 61 Pm
1700, // 62 Sm
1700, // 63 Eu
1700, // 64 Gd
1700, // 65 Tb
1700, // 66 Dy
1700, // 67 Ho
1700, // 68 Er
1700, // 69 Tm
1700, // 70 Yb
1700, // 71 Lu
1700, // 72 Hf
1700, // 73 Ta
1700, // 74 W
1700, // 75 Re
1700, // 76 Os
1700, // 77 Ir
1720, // 78 Pt
1660, // 79 Au
1550, // 80 Hg
1960, // 81 Tl
2020, // 82 Pb
1700, // 83 Bi
1700, // 84 Po
1700, // 85 At
1700, // 86 Rn
1700, // 87 Fr
1700, // 88 Ra
1700, // 89 Ac
1700, // 90 Th
1700, // 91 Pa
1860, // 92 U
1700, // 93 Np
1700, // 94 Pu
1700, // 95 Am
1700, // 96 Cm
1700, // 97 Bk
1700, // 98 Cf
1700, // 99 Es
1700, // 100 Fm
1700, // 101 Md
1700, // 102 No
1700, // 103 Lr
1700, // 104 Rf
1700, // 105 Db
1700, // 106 Sg
1700, // 107 Bh
1700, // 108 Hs
1700, // 109 Mt
};
/**
* Default table of covalent Radii
* stored as a short mar ... Milli Angstrom Radius
* Values taken from OpenBabel.
* @see <a
href="http://openbabel.sourceforge.net";>openbabel.sourceforge.net</a>
*/
private final static short[] covalentMars = {
0, // 0 Xx does not bond
230, // 1 H
930, // 2 He
680, // 3 Li
350, // 4 Be
830, // 5 B
680, // 6 C
680, // 7 N
680, // 8 O
640, // 9 F
1120, // 10 Ne
970, // 11 Na
1100, // 12 Mg
1350, // 13 Al
1200, // 14 Si
750, // 15 P
1020, // 16 S
990, // 17 Cl
1570, // 18 Ar
1330, // 19 K
990, // 20 Ca
1440, // 21 Sc
1470, // 22 Ti
1330, // 23 V
1350, // 24 Cr
1350, // 25 Mn
1340, // 26 Fe
1330, // 27 Co
1500, // 28 Ni
1520, // 29 Cu
1450, // 30 Zn
1220, // 31 Ga
1170, // 32 Ge
1210, // 33 As
1220, // 34 Se
1210, // 35 Br
1910, // 36 Kr
1470, // 37 Rb
1120, // 38 Sr
1780, // 39 Y
1560, // 40 Zr
1480, // 41 Nb
1470, // 42 Mo
1350, // 43 Tc
1400, // 44 Ru
1450, // 45 Rh
1500, // 46 Pd
1590, // 47 Ag
1690, // 48 Cd
1630, // 49 In
1460, // 50 Sn
1460, // 51 Sb
1470, // 52 Te
1400, // 53 I
1980, // 54 Xe
1670, // 55 Cs
1340, // 56 Ba
1870, // 57 La
1830, // 58 Ce
1820, // 59 Pr
1810, // 60 Nd
1800, // 61 Pm
1800, // 62 Sm
1990, // 63 Eu
1790, // 64 Gd
1760, // 65 Tb
1750, // 66 Dy
1740, // 67 Ho
1730, // 68 Er
1720, // 69 Tm
1940, // 70 Yb
1720, // 71 Lu
1570, // 72 Hf
1430, // 73 Ta
1370, // 74 W
1350, // 75 Re
1370, // 76 Os
1320, // 77 Ir
1500, // 78 Pt
1500, // 79 Au
1700, // 80 Hg
1550, // 81 Tl
1540, // 82 Pb
1540, // 83 Bi
1680, // 84 Po
1700, // 85 At
2400, // 86 Rn
2000, // 87 Fr
1900, // 88 Ra
1880, // 89 Ac
1790, // 90 Th
1610, // 91 Pa
1580, // 92 U
1550, // 93 Np
1530, // 94 Pu
1510, // 95 Am
1500, // 96 Cm
1500, // 97 Bk
1500, // 98 Cf
1500, // 99 Es
1500, // 100 Fm
1500, // 101 Md
1500, // 102 No
1500, // 103 Lr
1600, // 104 Rf
1600, // 105 Db
1600, // 106 Sg
1600, // 107 Bh
1600, // 108 Hs
1600, // 109 Mt
};
/****************************************************************
* ionic radii are looked up using a pair of parallel arrays
* the ionicLookupTable contains both the elementNumber
* and the ionization value, represented as follows:
* (elementNumber << 4) + (ionizationValue + 4)
* if you don't understand this representation, don't worry about
* the binary shifting and stuff. It is just a sorted list
* of keys
*
* the values are stored in the ionicMars table
* these two arrays are parallel
*
* This data is from
* Handbook of Chemistry and Physics. 48th Ed, 1967-8, p. F143
* (scanned for Jmol by Phillip Barak, Jan 2004)
****************************************************************/
public final static int FORMAL_CHARGE_MIN = -4;
public final static int FORMAL_CHARGE_MAX = 7;
public final static short[] ionicLookupTable = {
(1 << 4) + (-1 + 4), // 1,-1,1.54,"H"
(3 << 4) + (1 + 4), // 3,1,0.68,"Li"
(4 << 4) + (1 + 4), // 4,1,0.44,"Be"
(4 << 4) + (2 + 4), // 4,2,0.35,"Be"
(5 << 4) + (1 + 4), // 5,1,0.35,"B"
(5 << 4) + (3 + 4), // 5,3,0.23,"B"
(6 << 4) + (-4 + 4), // 6,-4,2.6,"C"
(6 << 4) + (4 + 4), // 6,4,0.16,"C"
(7 << 4) + (-3 + 4), // 7,-3,1.71,"N"
(7 << 4) + (1 + 4), // 7,1,0.25,"N"
(7 << 4) + (3 + 4), // 7,3,0.16,"N"
(7 << 4) + (5 + 4), // 7,5,0.13,"N"
(8 << 4) + (-2 + 4), // 8,-2,1.32,"O"
(8 << 4) + (-1 + 4), // 8,-1,1.76,"O"
(8 << 4) + (1 + 4), // 8,1,0.22,"O"
(8 << 4) + (6 + 4), // 8,6,0.09,"O"
(9 << 4) + (-1 + 4), // 9,-1,1.33,"F"
(9 << 4) + (7 + 4), // 9,7,0.08,"F"
(10 << 4) + (1 + 4), // 10,1,1.12,"Ne"
(11 << 4) + (1 + 4), // 11,1,0.97,"Na"
(12 << 4) + (1 + 4), // 12,1,0.82,"Mg"
(12 << 4) + (2 + 4), // 12,2,0.66,"Mg"
(13 << 4) + (3 + 4), // 13,3,0.51,"Al"
(14 << 4) + (-4 + 4), // 14,-4,2.71,"Si"
(14 << 4) + (-1 + 4), // 14,-1,3.84,"Si"
(14 << 4) + (1 + 4), // 14,1,0.65,"Si"
(14 << 4) + (4 + 4), // 14,4,0.42,"Si"
(15 << 4) + (-3 + 4), // 15,-3,2.12,"P"
(15 << 4) + (3 + 4), // 15,3,0.44,"P"
(15 << 4) + (5 + 4), // 15,5,0.35,"P"
(16 << 4) + (-2 + 4), // 16,-2,1.84,"S"
(16 << 4) + (2 + 4), // 16,2,2.19,"S"
(16 << 4) + (4 + 4), // 16,4,0.37,"S"
(16 << 4) + (6 + 4), // 16,6,0.3,"S"
(17 << 4) + (-1 + 4), // 17,-1,1.81,"Cl"
(17 << 4) + (5 + 4), // 17,5,0.34,"Cl"
(17 << 4) + (7 + 4), // 17,7,0.27,"Cl"
(18 << 4) + (1 + 4), // 18,1,1.54,"Ar"
(19 << 4) + (1 + 4), // 19,1,1.33,"K"
(20 << 4) + (1 + 4), // 20,1,1.18,"Ca"
(20 << 4) + (2 + 4), // 20,2,0.99,"Ca"
(21 << 4) + (3 + 4), // 21,3,0.732,"Sc"
(22 << 4) + (1 + 4), // 22,1,0.96,"Ti"
(22 << 4) + (2 + 4), // 22,2,0.94,"Ti"
(22 << 4) + (3 + 4), // 22,3,0.76,"Ti"
(22 << 4) + (4 + 4), // 22,4,0.68,"Ti"
(23 << 4) + (2 + 4), // 23,2,0.88,"V"
(23 << 4) + (3 + 4), // 23,3,0.74,"V"
(23 << 4) + (4 + 4), // 23,4,0.63,"V"
(23 << 4) + (5 + 4), // 23,5,0.59,"V"
(24 << 4) + (1 + 4), // 24,1,0.81,"Cr"
(24 << 4) + (2 + 4), // 24,2,0.89,"Cr"
(24 << 4) + (3 + 4), // 24,3,0.63,"Cr"
(24 << 4) + (6 + 4), // 24,6,0.52,"Cr"
(25 << 4) + (2 + 4), // 25,2,0.8,"Mn"
(25 << 4) + (3 + 4), // 25,3,0.66,"Mn"
(25 << 4) + (4 + 4), // 25,4,0.6,"Mn"
(25 << 4) + (7 + 4), // 25,7,0.46,"Mn"
(26 << 4) + (2 + 4), // 26,2,0.74,"Fe"
(26 << 4) + (3 + 4), // 26,3,0.64,"Fe"
(27 << 4) + (2 + 4), // 27,2,0.72,"Co"
(27 << 4) + (3 + 4), // 27,3,0.63,"Co"
(28 << 4) + (2 + 4), // 28,2,0.69,"Ni"
(29 << 4) + (1 + 4), // 29,1,0.96,"Cu"
(29 << 4) + (2 + 4), // 29,2,0.72,"Cu"
(30 << 4) + (1 + 4), // 30,1,0.88,"Zn"
(30 << 4) + (2 + 4), // 30,2,0.74,"Zn"
(31 << 4) + (1 + 4), // 31,1,0.81,"Ga"
(31 << 4) + (3 + 4), // 31,3,0.62,"Ga"
(32 << 4) + (-4 + 4), // 32,-4,2.72,"Ge"
(32 << 4) + (2 + 4), // 32,2,0.73,"Ge"
(32 << 4) + (4 + 4), // 32,4,0.53,"Ge"
(33 << 4) + (-3 + 4), // 33,-3,2.22,"As"
(33 << 4) + (3 + 4), // 33,3,0.58,"As"
(33 << 4) + (5 + 4), // 33,5,0.46,"As"
(34 << 4) + (-2 + 4), // 34,-2,1.91,"Se"
(34 << 4) + (-1 + 4), // 34,-1,2.32,"Se"
(34 << 4) + (1 + 4), // 34,1,0.66,"Se"
(34 << 4) + (4 + 4), // 34,4,0.5,"Se"
(34 << 4) + (6 + 4), // 34,6,0.42,"Se"
(35 << 4) + (-1 + 4), // 35,-1,1.96,"Br"
(35 << 4) + (5 + 4), // 35,5,0.47,"Br"
(35 << 4) + (7 + 4), // 35,7,0.39,"Br"
(37 << 4) + (1 + 4), // 37,1,1.47,"Rb"
(38 << 4) + (2 + 4), // 38,2,1.12,"Sr"
(39 << 4) + (3 + 4), // 39,3,0.893,"Y"
(40 << 4) + (1 + 4), // 40,1,1.09,"Zr"
(40 << 4) + (4 + 4), // 40,4,0.79,"Zr"
(41 << 4) + (1 + 4), // 41,1,1,"Nb"
(41 << 4) + (4 + 4), // 41,4,0.74,"Nb"
(41 << 4) + (5 + 4), // 41,5,0.69,"Nb"
(42 << 4) + (1 + 4), // 42,1,0.93,"Mo"
(42 << 4) + (4 + 4), // 42,4,0.7,"Mo"
(42 << 4) + (6 + 4), // 42,6,0.62,"Mo"
(43 << 4) + (7 + 4), // 43,7,0.979,"Tc"
(44 << 4) + (4 + 4), // 44,4,0.67,"Ru"
(45 << 4) + (3 + 4), // 45,3,0.68,"Rh"
(46 << 4) + (2 + 4), // 46,2,0.8,"Pd"
(46 << 4) + (4 + 4), // 46,4,0.65,"Pd"
(47 << 4) + (1 + 4), // 47,1,1.26,"Ag"
(47 << 4) + (2 + 4), // 47,2,0.89,"Ag"
(48 << 4) + (1 + 4), // 48,1,1.14,"Cd"
(48 << 4) + (2 + 4), // 48,2,0.97,"Cd"
(49 << 4) + (3 + 4), // 49,3,0.81,"In"
(50 << 4) + (-4 + 4), // 50,-4,2.94,"Sn"
(50 << 4) + (-1 + 4), // 50,-1,3.7,"Sn"
(50 << 4) + (2 + 4), // 50,2,0.93,"Sn"
(50 << 4) + (4 + 4), // 50,4,0.71,"Sn"
(51 << 4) + (-3 + 4), // 51,-3,2.45,"Sb"
(51 << 4) + (3 + 4), // 51,3,0.76,"Sb"
(51 << 4) + (5 + 4), // 51,5,0.62,"Sb"
(52 << 4) + (-2 + 4), // 52,-2,2.11,"Te"
(52 << 4) + (-1 + 4), // 52,-1,2.5,"Te"
(52 << 4) + (1 + 4), // 52,1,0.82,"Te"
(52 << 4) + (4 + 4), // 52,4,0.7,"Te"
(52 << 4) + (6 + 4), // 52,6,0.56,"Te"
(53 << 4) + (-1 + 4), // 53,-1,2.2,"I"
(53 << 4) + (5 + 4), // 53,5,0.62,"I"
(53 << 4) + (7 + 4), // 53,7,0.5,"I"
(55 << 4) + (1 + 4), // 55,1,1.67,"Cs"
(56 << 4) + (1 + 4), // 56,1,1.53,"Ba"
(56 << 4) + (2 + 4), // 56,2,1.34,"Ba"
(57 << 4) + (1 + 4), // 57,1,1.39,"La"
(57 << 4) + (3 + 4), // 57,3,1.016,"La"
(58 << 4) + (1 + 4), // 58,1,1.27,"Ce"
(58 << 4) + (3 + 4), // 58,3,1.034,"Ce"
(58 << 4) + (4 + 4), // 58,4,0.92,"Ce"
(59 << 4) + (3 + 4), // 59,3,1.013,"Pr"
(59 << 4) + (4 + 4), // 59,4,0.9,"Pr"
(60 << 4) + (3 + 4), // 60,3,0.995,"Nd"
(61 << 4) + (3 + 4), // 61,3,0.979,"Pm"
(62 << 4) + (3 + 4), // 62,3,0.964,"Sm"
(63 << 4) + (2 + 4), // 63,2,1.09,"Eu"
(63 << 4) + (3 + 4), // 63,3,0.95,"Eu"
(64 << 4) + (3 + 4), // 64,3,0.938,"Gd"
(65 << 4) + (3 + 4), // 65,3,0.923,"Tb"
(65 << 4) + (4 + 4), // 65,4,0.84,"Tb"
(66 << 4) + (3 + 4), // 66,3,0.908,"Dy"
(67 << 4) + (3 + 4), // 67,3,0.894,"Ho"
(68 << 4) + (3 + 4), // 68,3,0.881,"Er"
(69 << 4) + (3 + 4), // 69,3,0.87,"Tm"
(70 << 4) + (2 + 4), // 70,2,0.93,"Yb"
(70 << 4) + (3 + 4), // 70,3,0.858,"Yb"
(71 << 4) + (3 + 4), // 71,3,0.85,"Lu"
(72 << 4) + (4 + 4), // 72,4,0.78,"Hf"
(73 << 4) + (5 + 4), // 73,5,0.68,"Ta"
(74 << 4) + (4 + 4), // 74,4,0.7,"W"
(74 << 4) + (6 + 4), // 74,6,0.62,"W"
(75 << 4) + (4 + 4), // 75,4,0.72,"Re"
(75 << 4) + (7 + 4), // 75,7,0.56,"Re"
(76 << 4) + (4 + 4), // 76,4,0.88,"Os"
(76 << 4) + (6 + 4), // 76,6,0.69,"Os"
(77 << 4) + (4 + 4), // 77,4,0.68,"Ir"
(78 << 4) + (2 + 4), // 78,2,0.8,"Pt"
(78 << 4) + (4 + 4), // 78,4,0.65,"Pt"
(79 << 4) + (1 + 4), // 79,1,1.37,"Au"
(79 << 4) + (3 + 4), // 79,3,0.85,"Au"
(80 << 4) + (1 + 4), // 80,1,1.27,"Hg"
(80 << 4) + (2 + 4), // 80,2,1.1,"Hg"
(81 << 4) + (1 + 4), // 81,1,1.47,"Tl"
(81 << 4) + (3 + 4), // 81,3,0.95,"Tl"
(82 << 4) + (2 + 4), // 82,2,1.2,"Pb"
(82 << 4) + (4 + 4), // 82,4,0.84,"Pb"
(83 << 4) + (1 + 4), // 83,1,0.98,"Bi"
(83 << 4) + (3 + 4), // 83,3,0.96,"Bi"
(83 << 4) + (5 + 4), // 83,5,0.74,"Bi"
(84 << 4) + (6 + 4), // 84,6,0.67,"Po"
(85 << 4) + (7 + 4), // 85,7,0.62,"At"
(87 << 4) + (1 + 4), // 87,1,1.8,"Fr"
(88 << 4) + (2 + 4), // 88,2,1.43,"Ra a"
(89 << 4) + (3 + 4), // 89,3,1.18,"Ac"
(90 << 4) + (4 + 4), // 90,4,1.02,"Th"
(91 << 4) + (3 + 4), // 91,3,1.13,"Pa"
(91 << 4) + (4 + 4), // 91,4,0.98,"Pa"
(91 << 4) + (5 + 4), // 91,5,0.89,"Pa"
(92 << 4) + (4 + 4), // 92,4,0.97,"U"
(92 << 4) + (6 + 4), // 92,6,0.8,"U"
(93 << 4) + (3 + 4), // 93,3,1.1,"Np"
(93 << 4) + (4 + 4), // 93,4,0.95,"Np"
(93 << 4) + (7 + 4), // 93,7,0.71,"Np"
(94 << 4) + (3 + 4), // 94,3,1.08,"Pu"
(94 << 4) + (4 + 4), // 94,4,0.93,"Pu"
(95 << 4) + (3 + 4), // 95,3,1.07,"Am"
(95 << 4) + (4 + 4), // 95,4,0.92,"Am"
};
public final static short[] ionicMars = {
1540, // "H",1,-1,1.54,1540
680, // "Li",3,1,0.68,680
440, // "Be",4,1,0.44,440
350, // "Be",4,2,0.35,350
350, // "B",5,1,0.35,350
230, // "B",5,3,0.23,230
2600, // "C",6,-4,2.6,2600
160, // "C",6,4,0.16,160
1710, // "N",7,-3,1.71,1710
250, // "N",7,1,0.25,250
160, // "N",7,3,0.16,160
130, // "N",7,5,0.13,130
1320, // "O",8,-2,1.32,1320
1760, // "O",8,-1,1.76,1760
220, // "O",8,1,0.22,220
90, // "O",8,6,0.09,90
1330, // "F",9,-1,1.33,1330
80, // "F",9,7,0.08,80
1120, // "Ne",10,1,1.12,1120
970, // "Na",11,1,0.97,970
820, // "Mg",12,1,0.82,820
660, // "Mg",12,2,0.66,660
510, // "Al",13,3,0.51,510
2710, // "Si",14,-4,2.71,2710
3840, // "Si",14,-1,3.84,3840
650, // "Si",14,1,0.65,650
420, // "Si",14,4,0.42,420
2120, // "P",15,-3,2.12,2120
440, // "P",15,3,0.44,440
350, // "P",15,5,0.35,350
1840, // "S",16,-2,1.84,1840
2190, // "S",16,2,2.19,2190
370, // "S",16,4,0.37,370
300, // "S",16,6,0.3,300
1810, // "Cl",17,-1,1.81,1810
340, // "Cl",17,5,0.34,340
270, // "Cl",17,7,0.27,270
1540, // "Ar",18,1,1.54,1540
1330, // "K",19,1,1.33,1330
1180, // "Ca",20,1,1.18,1180
990, // "Ca",20,2,0.99,990
732, // "Sc",21,3,0.732,732
960, // "Ti",22,1,0.96,960
940, // "Ti",22,2,0.94,940
760, // "Ti",22,3,0.76,760
680, // "Ti",22,4,0.68,680
880, // "V",23,2,0.88,880
740, // "V",23,3,0.74,740
630, // "V",23,4,0.63,630
590, // "V",23,5,0.59,590
810, // "Cr",24,1,0.81,810
890, // "Cr",24,2,0.89,890
630, // "Cr",24,3,0.63,630
520, // "Cr",24,6,0.52,520
800, // "Mn",25,2,0.8,800
660, // "Mn",25,3,0.66,660
600, // "Mn",25,4,0.6,600
460, // "Mn",25,7,0.46,460
740, // "Fe",26,2,0.74,740
640, // "Fe",26,3,0.64,640
720, // "Co",27,2,0.72,720
630, // "Co",27,3,0.63,630
690, // "Ni",28,2,0.69,690
960, // "Cu",29,1,0.96,960
720, // "Cu",29,2,0.72,720
880, // "Zn",30,1,0.88,880
740, // "Zn",30,2,0.74,740
810, // "Ga",31,1,0.81,810
620, // "Ga",31,3,0.62,620
2720, // "Ge",32,-4,2.72,2720
730, // "Ge",32,2,0.73,730
530, // "Ge",32,4,0.53,530
2220, // "As",33,-3,2.22,2220
580, // "As",33,3,0.58,580
460, // "As",33,5,0.46,460
1910, // "Se",34,-2,1.91,1910
2320, // "Se",34,-1,2.32,2320
660, // "Se",34,1,0.66,660
500, // "Se",34,4,0.5,500
420, // "Se",34,6,0.42,420
1960, // "Br",35,-1,1.96,1960
470, // "Br",35,5,0.47,470
390, // "Br",35,7,0.39,390
1470, // "Rb",37,1,1.47,1470
1120, // "Sr",38,2,1.12,1120
893, // "Y",39,3,0.893,893
1090, // "Zr",40,1,1.09,1090
790, // "Zr",40,4,0.79,790
1000, // "Nb",41,1,1,1000
740, // "Nb",41,4,0.74,740
690, // "Nb",41,5,0.69,690
930, // "Mo",42,1,0.93,930
700, // "Mo",42,4,0.7,700
620, // "Mo",42,6,0.62,620
979, // "Tc",43,7,0.979,979
670, // "Ru",44,4,0.67,670
680, // "Rh",45,3,0.68,680
800, // "Pd",46,2,0.8,800
650, // "Pd",46,4,0.65,650
1260, // "Ag",47,1,1.26,1260
890, // "Ag",47,2,0.89,890
1140, // "Cd",48,1,1.14,1140
970, // "Cd",48,2,0.97,970
810, // "In",49,3,0.81,810
2940, // "Sn",50,-4,2.94,2940
3700, // "Sn",50,-1,3.7,3700
930, // "Sn",50,2,0.93,930
710, // "Sn",50,4,0.71,710
2450, // "Sb",51,-3,2.45,2450
760, // "Sb",51,3,0.76,760
620, // "Sb",51,5,0.62,620
2110, // "Te",52,-2,2.11,2110
2500, // "Te",52,-1,2.5,2500
820, // "Te",52,1,0.82,820
700, // "Te",52,4,0.7,700
560, // "Te",52,6,0.56,560
2200, // "I",53,-1,2.2,2200
620, // "I",53,5,0.62,620
500, // "I",53,7,0.5,500
1670, // "Cs",55,1,1.67,1670
1530, // "Ba",56,1,1.53,1530
1340, // "Ba",56,2,1.34,1340
1390, // "La",57,1,1.39,1390
1016, // "La",57,3,1.016,1016
1270, // "Ce",58,1,1.27,1270
1034, // "Ce",58,3,1.034,1034
920, // "Ce",58,4,0.92,920
1013, // "Pr",59,3,1.013,1013
900, // "Pr",59,4,0.9,900
995, // "Nd",60,3,0.995,995
979, // "Pm",61,3,0.979,979
964, // "Sm",62,3,0.964,964
1090, // "Eu",63,2,1.09,1090
950, // "Eu",63,3,0.95,950
938, // "Gd",64,3,0.938,938
923, // "Tb",65,3,0.923,923
840, // "Tb",65,4,0.84,840
908, // "Dy",66,3,0.908,908
894, // "Ho",67,3,0.894,894
881, // "Er",68,3,0.881,881
870, // "Tm",69,3,0.87,870
930, // "Yb",70,2,0.93,930
858, // "Yb",70,3,0.858,858
850, // "Lu",71,3,0.85,850
780, // "Hf",72,4,0.78,780
680, // "Ta",73,5,0.68,680
700, // "W",74,4,0.7,700
620, // "W",74,6,0.62,620
720, // "Re",75,4,0.72,720
560, // "Re",75,7,0.56,560
880, // "Os",76,4,0.88,880
690, // "Os",76,6,0.69,690
680, // "Ir",77,4,0.68,680
800, // "Pt",78,2,0.8,800
650, // "Pt",78,4,0.65,650
1370, // "Au",79,1,1.37,1370
850, // "Au",79,3,0.85,850
1270, // "Hg",80,1,1.27,1270
1100, // "Hg",80,2,1.1,1100
1470, // "Tl",81,1,1.47,1470
950, // "Tl",81,3,0.95,950
1200, // "Pb",82,2,1.2,1200
840, // "Pb",82,4,0.84,840
980, // "Bi",83,1,0.98,980
960, // "Bi",83,3,0.96,960
740, // "Bi",83,5,0.74,740
670, // "Po",84,6,0.67,670
620, // "At",85,7,0.62,620
1800, // "Fr",87,1,1.8,1800
1430, // "Ra a",88,2,1.43,1430
1180, // "Ac",89,3,1.18,1180
1020, // "Th",90,4,1.02,1020
1130, // "Pa",91,3,1.13,1130
980, // "Pa",91,4,0.98,980
890, // "Pa",91,5,0.89,890
970, // "U",92,4,0.97,970
800, // "U",92,6,0.8,800
1100, // "Np",93,3,1.1,1100
950, // "Np",93,4,0.95,950
710, // "Np",93,7,0.71,710
1080, // "Pu",94,3,1.08,1080
930, // "Pu",94,4,0.93,930
1070, // "Am",95,3,1.07,1070
920, // "Am",95,4,0.92,920
};
-------------------------------------------------------
SF.Net email is sponsored by: Discover Easy Linux Migration Strategies
from IBM. Find simple to follow Roadmaps, straightforward articles,
informative Webcasts and more! Get everything you need to get up to
speed, fast. http://ads.osdn.com/?ad_idt77&alloc_id492&op=click
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
