Russian Journal of Inorganic Chemistry, Tập 43,Trang 465-970Chemical Society., 1998 |
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Trang 561
... methods , among which the MNDO method is most commonly used [ 9 ] . Unfortunately , this method systematically overesti- mates the bond angle at the oxygen atom in the struc- tures that model g - MO2 fragments [ 1 , 2 ] . A similar ...
... methods , among which the MNDO method is most commonly used [ 9 ] . Unfortunately , this method systematically overesti- mates the bond angle at the oxygen atom in the struc- tures that model g - MO2 fragments [ 1 , 2 ] . A similar ...
Trang 569
... method predicts that the charge is distributed over the water molecules , which is unlikely . Nevertheless , the PM3 method adequately describes geometric and energy parameters , which are comparable with those obtained by the ab initio ...
... method predicts that the charge is distributed over the water molecules , which is unlikely . Nevertheless , the PM3 method adequately describes geometric and energy parameters , which are comparable with those obtained by the ab initio ...
Trang 940
... method satisfactorily reproduces the experimental Be - F bond energy in a single BeF2 molecule [ 14 ] ( 158 and 169 kcal / mol , respectively ) ; however , the MNDO method consi- derably overestimates the energy of dimerization as ...
... method satisfactorily reproduces the experimental Be - F bond energy in a single BeF2 molecule [ 14 ] ( 158 and 169 kcal / mol , respectively ) ; however , the MNDO method consi- derably overestimates the energy of dimerization as ...
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Synthesis and Properties of Inorganic Compounds | 465 |
Titanium Germanate | 472 |
Coordination Compounds | 479 |
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absorption acid addition analysis angle anion aqueous atoms band bond calculated cation changes charge Chem chemical Chemistry cluster cm-¹ complex composition compounds concentration constant containing coordination Copyright corresponding crystal curves decomposition decrease dependence determined distances effect electron energy exchange experimental extraction field formation fragments heating hydride hydrogen increase initial Inorganic intensity interaction ions Journal Khim ligand measured melting metal method mixture mol/l molecules Moscow Neorg Note observed obtained occurs oxidation oxygen parameters patterns peritectic phase plane polyhedra position powder prepared processes properties Publishing range ratio reaction REFERENCES region respectively Russian salts samples Sciences shift showed similar solid solid solutions solubility solution space group spectra spectrum stability structure studied suggested synthesis Table temperature thermal tion Translation unit cell values X-ray diffraction