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3 The upper estimates are presented , because different basis sets were used in the calculations of the total energies of negative ions F and CIF + ( 6-31 + G * augmented with diffuse functions ) and neutral molecules CIF ( 6-31G * ) .
3 The upper estimates are presented , because different basis sets were used in the calculations of the total energies of negative ions F and CIF + ( 6-31 + G * augmented with diffuse functions ) and neutral molecules CIF ( 6-31G * ) .
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The analysis of the data presented in Table 2 reveals an interesting trend in the electron density redistribu- tion in related anions and cations , which was noted in [ 5 ] . In going from CIF2 to CIF2 , about 1.1e is trans- ferred from ...
The analysis of the data presented in Table 2 reveals an interesting trend in the electron density redistribu- tion in related anions and cations , which was noted in [ 5 ] . In going from CIF2 to CIF2 , about 1.1e is trans- ferred from ...
Trang 1465
In the monograph , the available data on studying a " pure " titanium surface are presented systematically . The particular chapters include information concerning adsorption of nitrogen on the titanium surface , reconstructive ...
In the monograph , the available data on studying a " pure " titanium surface are presented systematically . The particular chapters include information concerning adsorption of nitrogen on the titanium surface , reconstructive ...
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HighTemperature Superconductors | 1319 |
Synthesis and Properties of Mixed Oxides M5A0 5Zr1 5M0O46 M K | 1327 |
Variation of the Composition of Hydrous Metal Oxide Hydroxides | 1335 |
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