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 of Sciences acid Akad amines analysis angles anion aqueous solutions bands bismuth bond lengths Ca₂Al(AlSi)O calcd calcium calculated carbon cation Chem chemical chloride cm-¹ complexes composition concentration constants Coordination Compounds copper(II corresponding Crystal Structure curves decrease determined diffraction patterns distances electron energy English Translation Copyright enthalpy equilibrium ethanol experimental extraction fluoride formation fullerene H₂O Hayka/Interperiodica Publishing Russia heating hydrogen bonds icosahedron increase Inorg Inorganic Chemistry interaction ionic ions isomer kcal/mol Khim kJ/mol ligand melt metal mixture mol/l monoclinic Moscow Nauk SSSR Neorg nitrate obtained Original Russian Text oxides oxygen atoms peritectic Platinum(II plexes precipitate properties protons range rare-earth ratio reaction rubidium Russia Received Russian Academy Russian Text Copyright salts samples sodium solubility spectrum stability struc studied synthesis Table temperature ternary thermal thermodynamic tion ture values vibrations water molecules X-ray diffraction X-ray powder diffraction