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-8
... surface migration of molecules . If ẞ , a characteristic of the probability for a molecule to trans- fer from the ith state to the jth state via surface migra- tion , is included into the consideration , three evolution pathways of the ...
... surface migration of molecules . If ẞ , a characteristic of the probability for a molecule to trans- fer from the ith state to the jth state via surface migra- tion , is included into the consideration , three evolution pathways of the ...
Trang S-24
... surface of α - Al2O3 . - The α - Al2O3 : Y system was modeled by a 120 - atom supercell with structure optimization [ 91 ] . It was found that the Y → Al substitution causes the oxygen atoms to move outward from the defect , and the Al ...
... surface of α - Al2O3 . - The α - Al2O3 : Y system was modeled by a 120 - atom supercell with structure optimization [ 91 ] . It was found that the Y → Al substitution causes the oxygen atoms to move outward from the defect , and the Al ...
Trang S-25
... surfaces are shown in Fig . 9. The energy of the unit ele- ment of the surface was determined as the difference between the total band energies of the cells involving the same number of atoms and referring , respectively , to the surface ...
... surfaces are shown in Fig . 9. The energy of the unit ele- ment of the surface was determined as the difference between the total band energies of the cells involving the same number of atoms and referring , respectively , to the surface ...
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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