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Table 2 shows that when the basis set is expanded from 3-21G * to DEHD + P , the relative energies of the linear and angular structures of LiNO , LION , LiSN , and LiPO are lowered by 8-12 kcal mol1 compared with the cyclic structures ...
Table 2 shows that when the basis set is expanded from 3-21G * to DEHD + P , the relative energies of the linear and angular structures of LiNO , LION , LiSN , and LiPO are lowered by 8-12 kcal mol1 compared with the cyclic structures ...
Trang 267
The change from the stoichiometric to the defect carbide is accompanied by a decrease in the relative intensity of the absorption maximum . This is consistent with the measured emission spectra , according to which a deviation from ...
The change from the stoichiometric to the defect carbide is accompanied by a decrease in the relative intensity of the absorption maximum . This is consistent with the measured emission spectra , according to which a deviation from ...
Trang 416
The geometries and relative energies of the isomers are given in Tables 1 and 2 . Table 2. Total ( a.u. ) and relative ( kcal mol1 ) energies of the alternative structures of the dimers and monomers . Configuration 2 ( HBO ) 2 ( HOB ) ...
The geometries and relative energies of the isomers are given in Tables 1 and 2 . Table 2. Total ( a.u. ) and relative ( kcal mol1 ) energies of the alternative structures of the dimers and monomers . Configuration 2 ( HBO ) 2 ( HOB ) ...
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SYNTHESIS AND PROPERTIES OF INORGANIC COMPOUNDS | 1 |
Volume 36 | 4 |
LnO bond lengths in lanthanide compounds with a coordination number of six 15 29 | 15 |
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acid addition analysis angles anion apparently aqueous atoms bands bond bridging calculated carbonate carried cation characteristic Chem chemical Chemistry complexes components composition compounds concentration constant containing coordination corresponding crystallisation crystals curves decomposition decrease dependence described determined dimer distances effect electron energy English translation equilibrium experimental extraction Figure formation formed given gives groups heating hydrogen increase indicate infrared Inorg interaction ions Khim Khimii lanthanide leads ligands lines lower magnetic mass measured metal metal-metal method mixture molecules Moscow Neorg nitrate observed obtained oxide oxygen parameters phase points positions possible precipitate prepared present properties published range ratio reaction References region relative respectively salts shows similar solid solubility solution space group specimens spectra spectrum stability structure studied Table takes temperature thermal translation in Russ values vibrations wavenumbers X-ray diffraction