Russian Journal of Inorganic Chemistry, Tập 46,Trang 1437-1964British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2001 |
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... calculate the activity coefficients for all ions . After this , the phase diagram was refined from Eqs . ( 9 ) – ( 11 ) , and the activity coeffi- cients were again calculated . The cycle was repeated . A difference of 0.001 mol / l was ...
... calculate the activity coefficients for all ions . After this , the phase diagram was refined from Eqs . ( 9 ) – ( 11 ) , and the activity coeffi- cients were again calculated . The cycle was repeated . A difference of 0.001 mol / l was ...
Trang 1855
... calculated by the SA - CASSCF , ROHF , and DFT / B3LYP methods ROHF SA - CASSCF THEORETICAL INORGANIC CHEMISTRY Relative Stability of Isomers of C84 Fullerene. Table 2. Force constants F , ( mdyn / Å ) of MF4 molecules ( D2 ) in the ...
... calculated by the SA - CASSCF , ROHF , and DFT / B3LYP methods ROHF SA - CASSCF THEORETICAL INORGANIC CHEMISTRY Relative Stability of Isomers of C84 Fullerene. Table 2. Force constants F , ( mdyn / Å ) of MF4 molecules ( D2 ) in the ...
Trang 1857
... Calculations dem- onstrated that spin - orbit coupling only slightly affects the shape of potential energy surfaces of the molecules under consideration . The R , and α , values calculated with and without accounting for spin - orbit ...
... Calculations dem- onstrated that spin - orbit coupling only slightly affects the shape of potential energy surfaces of the molecules under consideration . The R , and α , values calculated with and without accounting for spin - orbit ...
Nội dung
Vol 46 No 10 | 1437 |
Phase Formation during the LowTemperature Synthesis of KBBO Superconductors in KOH Melt | 1448 |
Synthesis and Properties of Inorganic Compounds | 1462 |
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acid activation addition analysis angles anions annealing atoms bands bismuth bond calculated carbon cations Chem chemical Chemistry cm-¹ complexes composition compounds concentration containing coordination copper Copyright corresponding Crystal Structure curves decrease determined distances effect electron energy exist experimental formation formed H₂O heating hydrogen increase indicates Inorganic intensity interaction involved ions Journal Khim ligand lines measured melting metal method mixture molecules Moscow Neorg observed obtained Original oxides oxygen atoms parameters patterns phase phase diagram Physics points positions powder prepared presented properties range ratio reaction REFERENCES refined reflections region relative respectively Russian salt samples Sciences shows signals similar solid solid solutions solution space space group spectra spectrum stability stage studied Synthesis Table temperature thermal tion transition unit cell values water molecules X-ray diffraction yield