Russian Journal of Inorganic Chemistry, Tập 40,Số phát hành 9-12British Library Lending Division with the cooperation of the Royal Society of Chemistry, 1995 |
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Trang 1812
... basis set were performed for all chosen configu- rations of the OBenBeH2 molecules and for all possi- ble products of their monomolecular decay ( BeO , BeH2 , Be2H4 , Be3H ) . The calculations included full geometry optimization and ...
... basis set were performed for all chosen configu- rations of the OBenBeH2 molecules and for all possi- ble products of their monomolecular decay ( BeO , BeH2 , Be2H4 , Be3H ) . The calculations included full geometry optimization and ...
Trang 1944
... basis sets , including the basis set approaching the HF limit , and by the configuration interaction method with the inclusion of single and double excitations and a correction for quadruple excitations using the ( 14s11p6d1f ) ...
... basis sets , including the basis set approaching the HF limit , and by the configuration interaction method with the inclusion of single and double excitations and a correction for quadruple excitations using the ( 14s11p6d1f ) ...
Trang 1946
... basis sets employed previously in Hartree - Fock calculations of the ScF , molecule is the Huzinaga even - tempered basis set ( W ) [ 15 ] , which yields results approaching the Hartree - Fock limit according to the estimation [ 15 ] ...
... basis sets employed previously in Hartree - Fock calculations of the ScF , molecule is the Huzinaga even - tempered basis set ( W ) [ 15 ] , which yields results approaching the Hartree - Fock limit according to the estimation [ 15 ] ...
Nội dung
The Kinetics and Mechanism of SolidPhase Synthesis of YBa₂Cu3078 | 1359 |
Vol 40 No 9 1995 | 1360 |
Structure of Sodium Hexahydroperoxostannate | 1365 |
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absorption Academy According acid activity addition analysis angles anion aqueous atoms bands basis bismuth bond calculated cation cell Chem chemical Chemistry chloride cm-¹ complexes composition compounds concentration constants containing coordination Copyright corresponding crystals curves decrease dependence determined distances effect electron energy equilibrium experimental extraction fluoride formation groups H₂O heating hydrogen increase indicates Inorg Inorganic Institute intensity interaction ions Khim ligand melt metal method mixture molecules Moscow Neorg Note observed obtained occurs Original oxides oxygen parameters peritectic phase position possible powder precipitate prepared presence properties Publishing range ratio reaction REFERENCES region respectively Russian salts samples Sciences shift shows similar sodium solid solutions space group spectra spectrum stability structure studied synthesis Table temperature thermal tion transition unit values vibrations X-ray diffraction