Russian Journal of Inorganic Chemistry, Tập 46,Trang 1437-1964British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2001 |
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Trang 1536
... energy by 0.3-0.8 eV . The com- position of lower virtual MOS changes in such a way that the orbitals of the nitrile carbon and nitrogen atoms start to make a substantial contribution to the LUMO ( Fig . 5 ) . This allows one to ...
... energy by 0.3-0.8 eV . The com- position of lower virtual MOS changes in such a way that the orbitals of the nitrile carbon and nitrogen atoms start to make a substantial contribution to the LUMO ( Fig . 5 ) . This allows one to ...
Trang 1538
... energy for the reaction under discussion . The activation energy calculated as the difference between the total energy of the TS and the sum of the total energies of the initial CH3CN and formaldoxime in the OxA confor- mation is 2.85 ...
... energy for the reaction under discussion . The activation energy calculated as the difference between the total energy of the TS and the sum of the total energies of the initial CH3CN and formaldoxime in the OxA confor- mation is 2.85 ...
Trang 1853
... energy surface for the ground electronic state have the oblate tetrahedral shape : bond angles a , ( FMF ) 023ea14e ... energy barriers in the minimum energy path for the intramolecular rearrangement , which is called Jahn - Teller ...
... energy surface for the ground electronic state have the oblate tetrahedral shape : bond angles a , ( FMF ) 023ea14e ... energy barriers in the minimum energy path for the intramolecular rearrangement , which is called Jahn - Teller ...
Nội dung
Vol 46 No 10 | 1437 |
Phase Formation during the LowTemperature Synthesis of KBBO Superconductors in KOH Melt | 1448 |
Synthesis and Properties of Inorganic Compounds | 1462 |
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acid activation addition analysis angles anions annealing atoms bands bismuth bond calculated carbon cations Chem chemical Chemistry cm-¹ complexes composition compounds concentration containing coordination copper Copyright corresponding Crystal Structure curves decrease determined distances effect electron energy exist experimental formation formed H₂O heating hydrogen increase indicates Inorganic intensity interaction involved ions Journal Khim ligand lines measured melting metal method mixture molecules Moscow Neorg observed obtained Original oxides oxygen atoms parameters patterns phase phase diagram Physics points positions powder prepared presented properties range ratio reaction REFERENCES refined reflections region relative respectively Russian salt samples Sciences shows signals similar solid solid solutions solution space space group spectra spectrum stability stage studied Synthesis Table temperature thermal tion transition unit cell values water molecules X-ray diffraction yield