Russian Journal of Inorganic Chemistry, Tập 49,Số phát hành 5-7British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2004 |
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Trang 725
... frequencies ; therefore , we restricted our- selves to B3LYP / 6-31G calculations ignoring polariza- tion functions . To test the accuracy of this approxima- tion , we performed B3LYP / 6-31G calculations of vibrational frequencies of ...
... frequencies ; therefore , we restricted our- selves to B3LYP / 6-31G calculations ignoring polariza- tion functions . To test the accuracy of this approxima- tion , we performed B3LYP / 6-31G calculations of vibrational frequencies of ...
Trang 730
... frequencies of the He , clus- ter in He4 @ C60H36 are close to the analogous vibra- tional frequencies of the endohedral CH4 molecule ; in addition , these vibrations are coupled not only to the deformation vibrations of the cage but ...
... frequencies of the He , clus- ter in He4 @ C60H36 are close to the analogous vibra- tional frequencies of the endohedral CH4 molecule ; in addition , these vibrations are coupled not only to the deformation vibrations of the cage but ...
Trang 878
... frequencies Vrot of the guest ( ~ 340 and ~ 225 cm - 1 ) for the endohedral NH @ C84 cation and BH @ C84 anion are comparable with experimen- tal frequencies of ammonium librations in solid salts of the NH X - type with X = Hal , AIF4 ...
... frequencies Vrot of the guest ( ~ 340 and ~ 225 cm - 1 ) for the endohedral NH @ C84 cation and BH @ C84 anion are comparable with experimen- tal frequencies of ammonium librations in solid salts of the NH X - type with X = Hal , AIF4 ...
Nội dung
Vol 49 No 5 | 661 |
Synthesis and Properties of Inorganic Compounds | 669 |
Synthesis and XRay Diffraction Characteristics of MMgDyMn2O6 M Li Na K | 674 |
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absorption according acid activation addition analysis angles anion appear atoms band bond cage calculated carbon cation cell changes charge Chem chemical Chemistry clusters cm-¹ compared complexes composition compounds concentration constants containing coordination Copyright corresponding crystal curves decreases determined distances effect electron energy enthalpy existence experimental extraction formation formed frequencies function groups heating HTSC hydrides hydrogen increase Inorg Inorganic interaction ionic ions Journal Khim layers lengths ligand magnetic materials measured melting metal method mixture mol/l molecules Moscow Neorg observed obtained oxide oxygen parameters phase Physics plane positions prepared presence properties range ratio reaction REFERENCES respectively Russian salt sample Sciences shifts shows similar solid solution space group spectra spectrum stability structure studied symmetry synthesis Table temperature thermal tion transition unit values vibrations