Russian Journal of Inorganic Chemistry, Tập 42,Trang 447-950Chemical Society., 1997 |
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... energy of the system only by 2 kcal / mol ( therefore , in ab initio calculations , only the planar configuration was considered for this ring ) . For cluster 8A , this difference increases to 10 kcal / mol . This tendency is evidently ...
... energy of the system only by 2 kcal / mol ( therefore , in ab initio calculations , only the planar configuration was considered for this ring ) . For cluster 8A , this difference increases to 10 kcal / mol . This tendency is evidently ...
Trang 706
... Energy , Ry Fig . 2. ( Top ) Total DOS and partial DOS for stoichiometric TiN . The distributions of the Ti ( s , p , d ) , N2p and N2s states are shown with solid and dashed lines , respectively . stoichiometric titanium nitride . The ...
... Energy , Ry Fig . 2. ( Top ) Total DOS and partial DOS for stoichiometric TiN . The distributions of the Ti ( s , p , d ) , N2p and N2s states are shown with solid and dashed lines , respectively . stoichiometric titanium nitride . The ...
Trang 832
energy of formic acid is 15.2 kcal / mol ; this agrees well with previously calculated values [ 15-20 ] and experi- mental dimerization energy of 14.8 kcal / mol [ 39 ] . Fig- ure 3 presents experimental geometry parameters ( given in ...
energy of formic acid is 15.2 kcal / mol ; this agrees well with previously calculated values [ 15-20 ] and experi- mental dimerization energy of 14.8 kcal / mol [ 39 ] . Fig- ure 3 presents experimental geometry parameters ( given in ...
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Synthesis and Properties of Inorganic Compounds | 447 |
The Mechanism of OrderDisorder Transition in HfV2H4 xDx | 459 |
A New Method | 469 |
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according acid activity analysis angles anion aqueous atoms band bonds calculated carbon cations changes Chem chemical Chemistry chloride complexes composition compounds concentration constant containing coordination copper Copyright corresponding crystal curves decrease dependence determined diffraction dimer effect electron energy enthalpy equation equilibrium exchange experimental extraction fact formation given heat hydrogen increase indicates initial Inorganic intensity interaction ions Journal Khim layer ligand magnetic measured melting metal method mol/l molecules Moscow Neorg observed obtained occur oxidation oxygen parameters peak phase phosphate Physics points prepared presence pressure properties Publishing range ratio reaction REFERENCES region respectively Russian salt samples Sciences shifts shows signal similar solid solutions solvent space group species spectra spectrum stability structure studied synthesis Table temperature tion transition Translation values X-ray