mm:parameters:copper_zinc:hhh_cu_h_zn_dhh
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mm:parameters:copper_zinc:hhh_cu_h_zn_dhh [2013/10/03 18:54] joaocoimbra |
mm:parameters:copper_zinc:hhh_cu_h_zn_dhh [2013/10/03 18:58] (current) joaocoimbra |
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| ### | ### | ||
| - | | **Coordination Sphere** || | + | | **COORDINATION SPHERE** || |
| | {{ :mm:parameters:copper_zinc:SOD.png?250 |}} | \\ **Oxidation state:** Cu(II) / Zn(II) \\ **Spin multiplicity:** 1 | | | {{ :mm:parameters:copper_zinc:SOD.png?250 |}} | \\ **Oxidation state:** Cu(II) / Zn(II) \\ **Spin multiplicity:** 1 | | ||
| Line 77: | Line 77: | ||
| | H78-ZN-D81 | 115.9 | 114.5 | 113.4 | 115.5 | | | H78-ZN-D81 | 115.9 | 114.5 | 113.4 | 115.5 | | ||
| - | ===== Downloads ===== | ||
| - | |||
| - | | //Parameter File// | {{:mm:parameters:copper_zinc:hdc_zn-II.frcmod.zip| .frcmod}} | | ||
| - | | //Coordination Sphere Charges// | {{:mm:parameters:copper_zinc:lib_files_1.zip| .lib}} | | ||
| - | | //LEAPRC file// | {{:mm:parameters:copper_zinc:leaprc.zip| leaprc}} | | ||
| ===== References ===== | ===== References ===== | ||
mm/parameters/copper_zinc/hhh_cu_h_zn_dhh.1380822843.txt.gz · Last modified: 2013/10/03 18:54 by joaocoimbra
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