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|
MST |
ID |
Substance |
CAS-No |
Name |
Lennard-Jones |
Charge |
Dipole |
Quadrupole |
References |
Type |
Retained name 1 |
Retained name 2 |
Retained name 3 |
MST |
ID |
Substance |
CAS-No |
Name |
Lennard-Jones |
Charge |
Dipole |
Quadrupole |
References |
Type |
Retained name 1 |
Retained name 2 |
Retained name 3 |
109 | 1 | Ba 2+ | 22541-12-4 | Barium ion (2+) | 1 L.J. Site | 1 Charge | | | [Deublein, 2012 A] | Rigid | | | |
110 | 2 | Be 2+ | 22537-20-8 | Beryllium ion (2+) | 1 L.J. Site | 1 Charge | | | [Deublein, 2012 A] | Rigid | | | |
125 | 3 | Br 1- | 24959-67-9 | Bromine ion (1-) | 1 L.J. Site | 1 Charge | | | [Reiser, 2014] | Rigid | | | |
116 | 4 | Ca 2+ | 17787-72-3 | Calcium ion (2+) | 1 L.J. Site | 1 Charge | | | [Deublein, 2012 A] | Rigid | | | |
126 | 5 | Cl 1- | 16887-00-6 | Chlorine ion (1-) | 1 L.J. Site | 1 Charge | | | [Reiser, 2014] | Rigid | | | |
127 | 6 | Cs 1+ | 18459-37-5 | Cesium ion (1+) | 1 L.J. Site | 1 Charge | | | [Reiser, 2014] | Rigid | | | |
128 | 7 | F 1- | 16984-48-8 | Fluorine ion (1-) | 1 L.J. Site | 1 Charge | | | [Reiser, 2014] | Rigid | | | |
129 | 8 | I 1- | 20461-54-5 | Iodide ion (1-) | 1 L.J. Site | 1 Charge | | | [Reiser, 2014] | Rigid | | | |
130 | 9 | K 1+ | 24203-36-9 | Potassium ion (1+) | 1 L.J. Site | 1 Charge | | | [Reiser, 2014] | Rigid | | | |
131 | 10 | Li 1+ | 17341-24-1 | Lithium ion (1+) | 1 L.J. Site | 1 Charge | | | [Reiser, 2014] | Rigid | | | |
119 | 11 | Mg 2+ | 22537-22-0 | Magnesium ion (2+) | 1 L.J. Site | 1 Charge | | | [Deublein, 2012 A] | Rigid | | | |
132 | 12 | Na 1+ | 17341-25-2 | Sodium ion (1+) | 1 L.J. Site | 1 Charge | | | [Reiser, 2014] | Rigid | | | |
133 | 13 | Rb 1+ | 22537-38-8 | Rubidium ion (1+) | 1 L.J. Site | 1 Charge | | | [Reiser, 2014] | Rigid | | | |
120 | 14 | Sr 2+ | 22537-39-9 | Strontium ion (2+) | 1 L.J. Site | 1 Charge | | | [Deublein, 2012 A] | Rigid | | | |