Russian Journal of Inorganic Chemistry, Tập 47,Số phát hành 9-12Chemical Society., 2002 |
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Kết quả 1-3 trong 79
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... energy minima ( λ = 0 ; hereafter , λ is the num- ber of negative eigenvalues of the Hessian in a given stationary point ) on the PES of HF . CH4 . Structures 6- 8 ( X = C ) correspond to stationary points with 2 ≥ 1 and are not stable ...
... energy minima ( λ = 0 ; hereafter , λ is the num- ber of negative eigenvalues of the Hessian in a given stationary point ) on the PES of HF . CH4 . Structures 6- 8 ( X = C ) correspond to stationary points with 2 ≥ 1 and are not stable ...
Trang S-70
... energy of this bond Do ( AB ) for the ground state of the system in question : D1 = ke1s ; k = 1 eV ; λst Do = = Xsı ( AB ) + Y ( AB ) Xsı + ΣY ; YA = ( ^ R2 – R2 ) / ^ RR ̧ . Σχοι A , B A , B ( 1 ) Here , YA is a structure - dependent ...
... energy of this bond Do ( AB ) for the ground state of the system in question : D1 = ke1s ; k = 1 eV ; λst Do = = Xsı ( AB ) + Y ( AB ) Xsı + ΣY ; YA = ( ^ R2 – R2 ) / ^ RR ̧ . Σχοι A , B A , B ( 1 ) Here , YA is a structure - dependent ...
Trang S-71
... energy is ΣDo ( CC ) = 6Do ( CC ) + 6'D 。( CC ) + 32Do ( CC ) = 2778.12 kJ . ( 9 ) In Eqs . ( 8 ) and ( 9 ) , the following parameters were used : xo ( CC ) = 4.6430 for R. ( CC ) ≤ 16 Å ; Xo ( CC ) = 5.1784 for R > 1.6 Å . For ...
... energy is ΣDo ( CC ) = 6Do ( CC ) + 6'D 。( CC ) + 32Do ( CC ) = 2778.12 kJ . ( 9 ) In Eqs . ( 8 ) and ( 9 ) , the following parameters were used : xo ( CC ) = 4.6430 for R. ( CC ) ≤ 16 Å ; Xo ( CC ) = 5.1784 for R > 1.6 Å . For ...
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Vol 47 No 10 2002 | 1456 |
Vol 47 No 11 2002 | 1603 |
Hydrothermal Synthesis of Nanocrystalline Powders | 1609 |
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ų absorption acid analysis angles anion aqueous solution atoms band bond lengths calculated cations chelate Chem chemical cm-¹ complex composition compounds concentration coordination sphere corresponding crystal structure crystallographic curve decrease determined diffraction patterns dimers distances electron English Translation Copyright experimental formation formed g/cm³ H-bonds H₂O HCIO4 hydrogen bonds interaction ionic ions Khim ligands lithium MAIK Nauka/Interperiodica melting metal method mixture Mo atoms mol/l Moscow Nauk Neorg nitrate octahedra Original Russian Text oxide oxygen atoms perchlorate phase diagram phthalocyanine physicochemical pivalate pivalic acid plexes polyhedron proton Raman ratio reaction refined region Russia Received Russian Academy Russian Text Copyright salt samples sodium solid solutions solubility space group spectra spectrum studied synthesis Table temperature ternary thermal tion ture unit cell parameters values VD polyhedra vibrations water molecules X-ray diffraction X-ray powder diffraction