Russian Journal of Inorganic Chemistry, Tập 43,Trang 971-1470Chemical Society., 1998 |
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Kết quả 1-3 trong 78
Trang 1081
... calculated v1 ( B2 ) and v1 ( A1 ) frequencies to the corresponding experimental values 759 and 712 cm- ' . The following frequencies were found with the use of the scaled force field : v1 ( B2 ) = 760.5 cm - 1 , v1 ( A ) = 710.4 cm ...
... calculated v1 ( B2 ) and v1 ( A1 ) frequencies to the corresponding experimental values 759 and 712 cm- ' . The following frequencies were found with the use of the scaled force field : v1 ( B2 ) = 760.5 cm - 1 , v1 ( A ) = 710.4 cm ...
Trang 1090
... Calculations were performed within the same approximations as in [ 48-50 ] . For all systems , the geo- metrical parameters and vibrational frequencies of dif- ferent structures ( see figure ) were calculated at the HF and correlated ...
... Calculations were performed within the same approximations as in [ 48-50 ] . For all systems , the geo- metrical parameters and vibrational frequencies of dif- ferent structures ( see figure ) were calculated at the HF and correlated ...
Trang 1229
... Calculated properties of pyramidal ( C3 ) AB3. as different structures shown in Fig . 1 were calculated at the HF and correlated ( MP2 ) levels of theory with the standard 6-31G * basis set . Total energies of halides were refined with ...
... Calculated properties of pyramidal ( C3 ) AB3. as different structures shown in Fig . 1 were calculated at the HF and correlated ( MP2 ) levels of theory with the standard 6-31G * basis set . Total energies of halides were refined with ...
Nội dung
Vol 43 No 7 | 971 |
Synthesis Structure and Properties of the YBa₂Cu₂FeO and Eu₂Ba₂Cu₂FeO Phases | 987 |
Synthesis Structure and Properties of AVUO62 nH₂O A¹¹ Ni Zn | 993 |
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According acid addition amount analysis angles anions atoms band bonds boundaries calculated cation changes charge Chem chemical Chemistry chloride close cm-¹ complexes composition compounds concentration constant containing coordination Copyright corresponding crystal curves decrease described determined diagram distances effect electron energy equation eutectic experimental field fluorides formation frequencies function given groups heat hydrides increase indicates initial Inorganic ions isotherm Khim ligand liquidus lithium measured melting metal method mixture molecules Moscow Neorg observed obtained occurs oxide oxygen parameters patterns phase phosphate plane positions prepared presented pressure properties Publishing range ratio reaction REFERENCES region relative respectively Russian salts samples Sciences shows similar solid solutions space group spectra spectrum stability stage structure studied surface synthesis Table temperature thermal tion Translation unit cell values vibrations X-ray diffraction