Russian Journal of Inorganic Chemistry, Tập 46British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2001 |
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Trang S-21
... calculated at equilibrium conditions ( P = 0 , T = 0 ) . These results were consistent with the known results of calculations ( for MgO , see [ 67-73 ] for detail ) . Then , calculations were performed for these phases when their unit ...
... calculated at equilibrium conditions ( P = 0 , T = 0 ) . These results were consistent with the known results of calculations ( for MgO , see [ 67-73 ] for detail ) . Then , calculations were performed for these phases when their unit ...
Trang S-107
... calculated by the multiconfiguration Dirac - Fock method [ 5 ] ( with self- consistent calculation of the contributions of electronic Coulomb and exchange interactions in many - electron atoms ) ( Fig . 1 , data points ) shows that the ...
... calculated by the multiconfiguration Dirac - Fock method [ 5 ] ( with self- consistent calculation of the contributions of electronic Coulomb and exchange interactions in many - electron atoms ) ( Fig . 1 , data points ) shows that the ...
Trang S-181
... calculated at the HF level of theory PdF6 D2h 1.8378 1.76507 Table 8. Parallel and perpendicular components of 19F NMR shielding. with dependence of the degree of distortion and defor- mation of complex anions on their nearest neighbors ...
... calculated at the HF level of theory PdF6 D2h 1.8378 1.76507 Table 8. Parallel and perpendicular components of 19F NMR shielding. with dependence of the degree of distortion and defor- mation of complex anions on their nearest neighbors ...
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Suppl | S-1 |
Vol 46 Suppl 1 | S-2 |
QuantumChemical Modeling of the Electronic Structure Chemical Bonding | S-15 |
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acid Acta anions anneal arsenic trichloride AsCl AsCl3 atoms band barium bismuth bonds calcium calculated carbohydrate cation CdAs2 CdP2 ceramics Chem chemical shift chiral chloride clusters composition compounds Condens configuration coordination correlation corundum crystal structure dimer effect electronic energy equilibrium experimental field films formation function hexafluorides high-purity arsenic hydroxyapatite impurities Inorg Inorganic Chemistry interactions ions Khim LaMnO3 lanthanum lattice layers lead(II Lett lewisite ligand manganese(IV manganites materials Melikhov melt metal complexes MnO2 molecular molecules Moscow nanocrystals neodymium Neorg nuclei octahedral orbitals orthorhombic oxide oxygen particles peritectic phase diagram Phys polymorphs precursors pressure properties reaction relativistic Russian Journal samples silicon SiO2 solid solutions Solid State Chem space group spectra stability studied substitution sulfide symmetry synthesis Table temperature tetragonal thermal tion transition ture unit cell unit cell parameters vacancies vapor X-ray ZnP2