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-17
... respectively . Fig . 3. Isoelectronic charge - density contour plots of. vacant . The AIO , coordination polyhedra are distorted octahedra with Al - O distances of 1.857 and 1.969 Å ; the minimum Al - Al and O - 0 distances range within ...
... respectively . Fig . 3. Isoelectronic charge - density contour plots of. vacant . The AIO , coordination polyhedra are distorted octahedra with Al - O distances of 1.857 and 1.969 Å ; the minimum Al - Al and O - 0 distances range within ...
Trang S-19
... respectively . 032 It was found that the energy gain is ~ 3.7 eV per octa- hedral vacancy . Mo , Xu , and Ching [ 49 ] suggested that the ( VT + Vo ) mixed configuration of structural defects may also form in the y phase . In Fig . 4 ...
... respectively . 032 It was found that the energy gain is ~ 3.7 eV per octa- hedral vacancy . Mo , Xu , and Ching [ 49 ] suggested that the ( VT + Vo ) mixed configuration of structural defects may also form in the y phase . In Fig . 4 ...
Trang S-164
... respectively . The free activation energy at the signal coalescence temperature was calculated by the equation [ 73 ] AGT = 19.4T ( 9.97 + log ( T / AS ) ) J / mol . For the Ha signal at 231 K , the free activation energy is 51.35 kJ ...
... respectively . The free activation energy at the signal coalescence temperature was calculated by the equation [ 73 ] AGT = 19.4T ( 9.97 + log ( T / AS ) ) J / mol . For the Ha signal at 231 K , the free activation energy is 51.35 kJ ...
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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