Russian Journal of Inorganic Chemistry, Tập 42,Số phát hành 5-8British Library Lending Division with the cooperation of the Royal Society of Chemistry, 1997 |
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... 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 831
... energy minimum ( λ = 0 ) , and cyclic structure 7 ( Y = CH ) of the D2h symmetry corresponds to a saddle point ( λ = 1 ) in the PES . The energy and geometry characteristics calculated for struc- tures 6-8 ( Y = CH ) are given in the ...
... energy minimum ( λ = 0 ) , and cyclic structure 7 ( Y = CH ) of the D2h symmetry corresponds to a saddle point ( λ = 1 ) in the PES . The energy and geometry characteristics calculated for struc- tures 6-8 ( Y = CH ) are given in 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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Vol 42 No 5 | 613 |
Intercalation Compounds of VanadiumV Phosphates with Glycerol | 620 |
Interaction of Tin Dichloride with Liquid Chlorine in Alloys of SnCl2 with Alkali Metal Chlorides | 631 |
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absorption Academy According acid activation analysis angles anion aqueous atoms band bismuth bond calculated cation cell changes Chem chemical Chemistry chloride cm-¹ complexes components composition compounds concentration constants containing coordination Copyright corresponding crystal curves decrease dependence determined distances effect electron energy enthalpy equation equilibrium experimental extraction formation frequencies given heat hydrogen increase indicate Inorganic intensity interaction ions Journal Khim kJ/mol layer ligand measured melting metal method mixture mol/l molecules Moscow Neorg observed obtained occur organic Original oxidation oxygen parameters phase Phys Physics points position prepared pressure properties Publishing range ratio reaction REFERENCES reported respectively Russian salts samples Sciences shows signal similar solid solutions solvent space group spectra spectrum stability structure studied synthesis Table temperature thermal tion transition unit values vibrations X-ray diffraction