Russian Journal of Inorganic Chemistry, Tập 46,Trang 1-459Chemical Society., 2001 |
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Trang 241
... water molecules in the first coordination sphere are studied using B3LYP density functional calculations . Optimized structures of these complexes are determined . ( a ) [ Zn ( H2O ) 6 ]. Original Russian Text Copyright © 2001 by Maslii ...
... water molecules in the first coordination sphere are studied using B3LYP density functional calculations . Optimized structures of these complexes are determined . ( a ) [ Zn ( H2O ) 6 ]. Original Russian Text Copyright © 2001 by Maslii ...
Trang 303
... water molecule lies near the CH3 group , becomes the optimal one . The ion - water interaction potential functions are shown in Fig . 2 The atom - atom interaction potential has the form 12 = + QiQ¡ rij 0.048 0.047 5 0.054 0.048 0.047 ...
... water molecule lies near the CH3 group , becomes the optimal one . The ion - water interaction potential functions are shown in Fig . 2 The atom - atom interaction potential has the form 12 = + QiQ¡ rij 0.048 0.047 5 0.054 0.048 0.047 ...
Trang 304
... water molecule and the direction to the ion ) . Table 2. Parameters of intermolecular potentials ε 0.16 Interacting ... molecules in the studied systems leads to the conclusion that the number of " spoiled " H bonds is the greatest in the ...
... water molecule and the direction to the ion ) . Table 2. Parameters of intermolecular potentials ε 0.16 Interacting ... molecules in the studied systems leads to the conclusion that the number of " spoiled " H bonds is the greatest in the ...
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Synthesis and Properties of Inorganic Compounds | 1 |
Thermal Behavior of Tin Diphosphate Sn2P2O7 | 9 |
Interaction of Nickel Oxide with Chlorine | 16 |
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Academy of Sciences acid ammonium analysis angles anion bond lengths C₁ calculated carbon cations CCl4 Chem chemical shifts chloride cluster cm-¹ complexes composition compounds concentration constant coordination coordination sphere copper(II corresponding crystal curve decrease density diffraction patterns dissociation distances electronic absorption energy English Translation Copyright equilibrium experimental extraction fluorine formation fullerene H₂O heating HVCs hydrogen increase Inorganic Chemistry interaction ions isomers Khim kinetics kJ/mol ligand lithium magnetic MAIK Nauka/Interperiodica metal mixture MNDO mol/l molar Moscow nanotubes Neorg Original Russian Text oxidation oxygen palladium(II phase Phys platinum platinum(IV plexes polymer protons pyrohydrolysis ratio reaction ring Russia Received Russian Academy Russian Journal Russian Text Copyright sample solid solution species spectra spectroscopy spectrum stability structure studied symmetry synthesis Table temperature tetrahedron thermal tion values vanadium(V vibrations water molecules X-ray diffraction X-ray powder diffraction