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Calculated decomposition energies of Li2AB2 molecules and ions * * In kcal / mol . In the left ( MP4 ) and right ( MP4 + ZPE ) columns , we present energies of decomposition E ( Li * ) , E ( Li2 ) , and E ( Li2O ) or E ( Li2S ) ...
Calculated decomposition energies of Li2AB2 molecules and ions * * In kcal / mol . In the left ( MP4 ) and right ( MP4 + ZPE ) columns , we present energies of decomposition E ( Li * ) , E ( Li2 ) , and E ( Li2O ) or E ( Li2S ) ...
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Interatomic distances R ( AB ) ( Å ) , bond angles ( ABC ) ( degree ) , bond orders Q ( AB ) , effective charges on atoms Z * ( A ) ( fractions of electron ) , and the energies of decomposition DE / n ( kcal / mol ) of the system into ...
Interatomic distances R ( AB ) ( Å ) , bond angles ( ABC ) ( degree ) , bond orders Q ( AB ) , effective charges on atoms Z * ( A ) ( fractions of electron ) , and the energies of decomposition DE / n ( kcal / mol ) of the system into ...
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Modeling the decomposition of CDN was carried out in two steps . At the first stage , the energy difference between the pristine structure and the possible frag- ments was determined , and at the second stage , the occurrence of a ...
Modeling the decomposition of CDN was carried out in two steps . At the first stage , the energy difference between the pristine structure and the possible frag- ments was determined , and at the second stage , the occurrence of a ...
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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