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This method is based on the numerical integration of the ligand distribution density function near a cation . For the Group 1A and 2A metal cations , the ligand interaction potential is taken as the sum of Coulombic and polarization ...
This method is based on the numerical integration of the ligand distribution density function near a cation . For the Group 1A and 2A metal cations , the ligand interaction potential is taken as the sum of Coulombic and polarization ...
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The structure of I ( space group P2 , / n , a = 11.871 Å , b = 11.322 Å , c = 15.715 Å , B = 95.35 ° , 2 = 4 ) was solved by the direct method and refined by full - matrix least - squares calculations in the anisotropic approximation to ...
The structure of I ( space group P2 , / n , a = 11.871 Å , b = 11.322 Å , c = 15.715 Å , B = 95.35 ° , 2 = 4 ) was solved by the direct method and refined by full - matrix least - squares calculations in the anisotropic approximation to ...
Trang 574
Available experimental data point to the significant tional theory method ( B3LYP ) ( 6 , 7 ) ; then , for the fixed ... Direct thus , the LanL2 pseudopotential [ 8 ] was used for the experimental methods give no way for reliably deter- ...
Available experimental data point to the significant tional theory method ( B3LYP ) ( 6 , 7 ) ; then , for the fixed ... Direct thus , the LanL2 pseudopotential [ 8 ] was used for the experimental methods give no way for reliably deter- ...
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Vol 49 No 1 | 1 |
Isomorphism in the NH44 K44UO2CO33 System | 7 |
Conversions of Intermetallic Compounds SmCos and SmC017 | 13 |
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According acid analysis angles anions atoms average band bismuth bond bond lengths bridging calculated carbon cations changes chelate Chem chemical Chemistry complexes composition compounds concentration constants containing coordination Copyright corresponding crystal crystal structure curves decrease determined distances effect electron elements energy experiment experimental formation function heating hydrogen increase Inorg Inorganic Institute intensities interaction ions Journal Khim ligand lines manganese(II measured metal method mixture molecules Moscow Neorg nitrogen observed obtained oxide oxygen parameters peak phase phosphates Physics plane positions powder prepared processes properties range reaction REFERENCES refined reflections region respectively ring Russian salt samples Sciences shows similar solid solution space space group spectra spectrum stability structure studied synthesis Table temperature thermal tion transition unit cell values X-ray diffraction