Russian Journal of Inorganic Chemistry, Tập 45,Trang 495-982British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2000 |
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... calculated at the MP2 // HF level of theory with the 6-31G * basis set and total energies of hydrides are calculated at the QCI // MP2 level with the 6-31G ** basis set . ** Energies of decomposition into monomers ( Ediss , kcal / mol ) ...
... calculated at the MP2 // HF level of theory with the 6-31G * basis set and total energies of hydrides are calculated at the QCI // MP2 level with the 6-31G ** basis set . ** Energies of decomposition into monomers ( Ediss , kcal / mol ) ...
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... calculated with the inclusion of zero - point energies are given in parentheses . *** Relative energies Erel ( kcal / mol ) are calculated from the most favorable isomer T. Table 3. Calculated properties * of Mg2X2 dianions ** with ...
... calculated with the inclusion of zero - point energies are given in parentheses . *** Relative energies Erel ( kcal / mol ) are calculated from the most favorable isomer T. Table 3. Calculated properties * of Mg2X2 dianions ** with ...
Trang 907
... calculated frequencies of stretching vibra- tional modes in systems with multiple bonds , among which are the CO bonds [ 13 ] . According to [ 1 ] , electron correlation effects for the Me2SO molecule are unimportant ; therefore , we ...
... calculated frequencies of stretching vibra- tional modes in systems with multiple bonds , among which are the CO bonds [ 13 ] . According to [ 1 ] , electron correlation effects for the Me2SO molecule are unimportant ; therefore , we ...
Nội dung
Vol 45 No 4 | 495 |
Synthesis and Some Properties of Lanthanum Manganite | 504 |
Interaction of Titanium Dioxide with Sodium Fluoride and Sodium Carbonate | 510 |
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absorption acetonitrile acid analysis angles anions annealed aqueous atoms bands bond lengths bridging CaH2X calculated carbon cations chelate Chem chemical chloride cm-¹ complexes composition compounds concentration coordination copper(II corresponding crystal structure curve decrease dimers electron energy English Translation Copyright equation equilibrium experimental FGICs fluoride formation fragments frequencies gold(III H₂O HF MP2 hydration hydride hydrogen bonds increase Inorganic Chemistry interaction ions kcal/mol Khim ligand liquid MAIK Nauka/Interperiodica melt metal mixture mol/l Moscow NaCl Nauk Neorg nickel(II obtained Original Russian Text oxide oxygen atoms peritectic Phys platinum(II plexes precipitate protons ratio reaction region rings Russia Received Russian Academy Russian Journal Russian Text Copyright ruthenium ruthenium(IV salts samples sodium solid solutions solubility sorbent species spectra spectrum studied synthesis Table temperature ternary thermal tion titration values vibrations water molecules X-ray diffraction X-ray powder diffraction