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If the concentration constants calculated for an extraction equation differed by an order of magnitude or more , the equation was rejected as unable to describe the process . The satisfactory fit was shown by the extraction equation ...
If the concentration constants calculated for an extraction equation differed by an order of magnitude or more , the equation was rejected as unable to describe the process . The satisfactory fit was shown by the extraction equation ...
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COMPUTATIONAL DETAILS As previously [ 1–3 ] , calculations were performed in the framework of the hybrid Becke - Lee ... CHm 4Ng + C „ H were calculated by the GIAO method [ 28 , 29 ] at the B3LYP / 6-31G * // B3LYP / 6-31G * level .
COMPUTATIONAL DETAILS As previously [ 1–3 ] , calculations were performed in the framework of the hybrid Becke - Lee ... CHm 4Ng + C „ H were calculated by the GIAO method [ 28 , 29 ] at the B3LYP / 6-31G * // B3LYP / 6-31G * level .
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Experimentally measured and calculated values of the standard heats of formation For the molecules with closed electron ... For the systems with open shells or those for which the spin state was not so evident , the calculations were ...
Experimentally measured and calculated values of the standard heats of formation For the molecules with closed electron ... For the systems with open shells or those for which the spin state was not so evident , the calculations were ...
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Vol 49 No 8 | 1136 |
Synthesis and Characterization of Some Rubidium Orthoperiodates | 1143 |
Interaction of Zirconium Yttrium and Zinc Tetrahydroborate Complexes | 1154 |
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absorption According acid addition analysis angles anion aqueous atoms band bismuth bond cage calculated cations changes Chem chemical Chemistry chloride clusters cm-¹ compared complex composition compounds concentration constants containing coordination Copyright corresponding crystal curves decomposition decrease determined distances effect electronic energy exchange experimental extraction formation frequencies groups heating higher hydrates hydrogen increase Inorg Inorganic interaction ions isomer Khim layer lead lengths ligand measured metal method mixture mol/l molecular molecules Moscow Neorg observed obtained oxide oxygen parameters phase Phys Physics positions prepared presence properties range ratio reaction REFERENCES refined reflections region respectively Russ Russian salt sample Sciences shifts showed sodium solid solution space group spectra spectrum stability stage structure studied synthesis Table temperature thermal tion Translation unit values vibrations X-ray diffraction