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Trang S-113
Hückel Method and TI - TI * Interaction [ 001 ] The role of the 6s - 6p electron promotion in the TI + - TI * exchange interaction has been theoretically studied by the extended Hückel method [ 63 ] . If only the 6s orbitals are ...
Hückel Method and TI - TI * Interaction [ 001 ] The role of the 6s - 6p electron promotion in the TI + - TI * exchange interaction has been theoretically studied by the extended Hückel method [ 63 ] . If only the 6s orbitals are ...
Trang S-150
We have elaborated the methods for synthesis of similar clusters with a specified molecular geometry and a wide range of metals ... We have developed this synthetic method first for a л - allуlрalladium frag- ment as a model .
We have elaborated the methods for synthesis of similar clusters with a specified molecular geometry and a wide range of metals ... We have developed this synthetic method first for a л - allуlрalladium frag- ment as a model .
Trang S-172
Møller - Plesset Method Prior to the introduction of the DFT , the Møller- Plesset method was the best approach for improving the accuracy of quantum - chemical calculations at the Har- tree - Fock ( HF ) level of theory .
Møller - Plesset Method Prior to the introduction of the DFT , the Møller- Plesset method was the best approach for improving the accuracy of quantum - chemical calculations at the Har- tree - Fock ( HF ) level of theory .
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Suppl | S-1 |
Vol 46 Suppl 1 2001 | S-14 |
HighTemperature Chemistry of Doped Lanthanum Manganites | S-43 |
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active analysis arsenic trichloride atoms band bismuth bonds calculated cation ceramics changes characteristics Chem chemical Chemistry clusters complexes composition compounds concentration Condens considerable containing coordination crystal decrease determined distribution effect electronic elements energy equilibrium et al example existence experimental field formation function growth hexafluorides higher impurities increase Inorganic interactions involved ions Journal Khim layers ligand lower manganites materials mechanism melt metal method molecular molecules nanocrystals orbitals orthorhombic oxide oxygen parameters particles peritectic phase phase diagram Phys Physics polymorphs positions prepared pressure properties reaction relativistic respectively Russian samples Science shift shows similar solid solutions space space group spectra stability structure studied substitution surface symmetry synthesis Table temperature tetragonal thermal tion transition unit cell values various X-ray