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... and interatomic interaction in the Be , O4 , Be12012 and Be 6016 nanoclusters are investigated by self - consistent ab initio Hartree – Fock and density functional theory calculations using the discrete variational method .
... and interatomic interaction in the Be , O4 , Be12012 and Be 6016 nanoclusters are investigated by self - consistent ab initio Hartree – Fock and density functional theory calculations using the discrete variational method .
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31 , Moscow , 119991 , Russia Received October 20 , 2003 Abstract - Based on the representation theory for continuous symmetry groups in the spin space and point groups , a method was developed that allows one to numerically accurately ...
31 , Moscow , 119991 , Russia Received October 20 , 2003 Abstract - Based on the representation theory for continuous symmetry groups in the spin space and point groups , a method was developed that allows one to numerically accurately ...
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Akademika Koptyuga 3 , Novosibirsk , 630090 Russia Received July 7 , 2003 Abstract — We propose a novel method for studying a peritectic monovariant reaction in a ternary system . The underlying idea of the method is a combination of ...
Akademika Koptyuga 3 , Novosibirsk , 630090 Russia Received July 7 , 2003 Abstract — We propose a novel method for studying a peritectic monovariant reaction in a ternary system . The underlying idea of the method is a combination of ...
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Vol 49 No 5 | 662 |
Synthesis and XRay Diffraction Characteristics of MMgDyMn206 M Li Na K | 674 |
Synthesis and Crystal Structure | 685 |
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absorption according acid activation addition analysis angles anion appear atoms band bond cage calculated carbon cation cell changes charge Chem chemical Chemistry clusters compared complexes composition compounds concentration constants containing coordination Copyright corresponding crystal curves decreases determined distances effect electron energy enthalpy existence experimental extraction formation formed frequencies function groups heating HTSC hydrides hydrogen increase Inorg Inorganic interaction ionic ions Journal Khim layers lengths ligand magnetic materials measured melting metal method mixture mol/l molecules Moscow Neorg observed obtained oxide oxygen parameters phase Physics plane positions prepared presence properties range ratio reaction REFERENCES respectively Russian salt sample Sciences shifts shows similar solid solution space group spectra spectrum stability structure studied symmetry synthesis Table temperature thermal tion transition unit values vibrations