Russian Journal of Inorganic Chemistry, Tập 40,Trang 1527-2028Chemical Society., 1995 |
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Kết quả 1-3 trong 15
Trang 1620
... MNDO and MNDO / H calculations of the total energies of the clusters involving the ( M1 ) + ions together with their surrounding , alkali metal cations favor the stabilization of the fer- roelectric ordering of protons . On the contrary ...
... MNDO and MNDO / H calculations of the total energies of the clusters involving the ( M1 ) + ions together with their surrounding , alkali metal cations favor the stabilization of the fer- roelectric ordering of protons . On the contrary ...
Trang 1625
... MNDO method . In addition , we have carried out MNDO and ab initio calculations using the 3-21G basis set of model beryllium oxohydrides , OBe3H3 ( configura- tion D3h ) and OBe4H1 [ structure Ta and two structures ( C3 , and C2v ) ...
... MNDO method . In addition , we have carried out MNDO and ab initio calculations using the 3-21G basis set of model beryllium oxohydrides , OBe3H3 ( configura- tion D3h ) and OBe4H1 [ structure Ta and two structures ( C3 , and C2v ) ...
Trang 1627
... MNDO RHF / 3-21G MNDO RHF / 3-21G MNDO X - ray diffraction Structural parameters 1.678 1.680 1.109 Electron density distribution1 +0.59 +0.84 Q is a Mulliken overlap population in ab initio calculations and a Wiberg index in MNDO ...
... MNDO RHF / 3-21G MNDO RHF / 3-21G MNDO X - ray diffraction Structural parameters 1.678 1.680 1.109 Electron density distribution1 +0.59 +0.84 Q is a Mulliken overlap population in ab initio calculations and a Wiberg index in MNDO ...
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Synthesis and Properties of Zirconium Niobium and Tantalum Oxide Films | 1534 |
Polymorphism in Cobalt Metavanadate OctDes | 1540 |
PentafluoroantimonatesIII with Mixed Univalent Cations | 1547 |
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acid Akad analysis angles anion aqueous solutions basis set bond lengths calcd calcium calculations cation Chem chemical chloride cm-¹ cm¯¹ complexes composition compounds concentration coordination corresponding crown ether curves decrease determined electron energy English Translation Copyright enthalpy equation equilibrium ethanol ethylenediamine eutectic experimental extraction ferroelectric fluoride formation frequencies H₂O heating hydrogen bonds Inorg Inorganic Chemistry interaction ionic ions isomer kcal/mol Khim kJ/mol ligand magnesium melt metal mixture MNDO mol/l monoclinic Moscow Nauk SSSR Neorg nitrate obtained Original Russian Text oxides oxygen atoms perchlorate peritectic peritectic reaction plexes precipitate protons Publishing Russia range ratio region Russia Received Russian Academy Russian Text Copyright salts samples secondary crystallization sodium solid phase solu solubility solvent space group spectra spectrum stability structure studied synthesis Table temperature ternary thermal thermodynamic tin dioxide tion ture unit cell values vibrations X-ray diffraction