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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 error occurs with g - GeS2 . The bond angle at the sulfur atom in this ...
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 error occurs with g - GeS2 . The bond angle at the sulfur atom in this ...
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All computational methods indicate that the appearance of one electron in the a , orbital strongly changes the effective ... Nevertheless , the PM3 method adequately describes geometric and energy parameters , which are comparable with ...
All computational methods indicate that the appearance of one electron in the a , orbital strongly changes the effective ... Nevertheless , the PM3 method adequately describes geometric and energy parameters , which are comparable with ...
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In all of the Cn clusters model- ing the pristine CDN fragments , geometric parameters were fully optimized . Calculations were performed with the standard ver- sion of the semiempirical MNDO method [ 10 ] ; the more recent version ...
In all of the Cn clusters model- ing the pristine CDN fragments , geometric parameters were fully optimized . Calculations were performed with the standard ver- sion of the semiempirical MNDO method [ 10 ] ; the more recent version ...
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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