Russian Journal of Inorganic Chemistry, Tập 45,Số phát hành 5-8British Library Lending Division with the cooperation of the Royal Society of Chemistry, 2000 |
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... calculated at the MP2 // HF level of theory with the 6-31G * basis set and total energies of hydrides are calculated at the QCI // MP2 level with the 6-31G ** basis set . ** Energies of decomposition into monomers ( Ediss , kcal / mol ) ...
... calculated at the MP2 // HF level of theory with the 6-31G * basis set and total energies of hydrides are calculated at the QCI // MP2 level with the 6-31G ** basis set . ** Energies of decomposition into monomers ( Ediss , kcal / mol ) ...
Trang 907
... calculated frequencies of stretching vibra- tional modes in systems with multiple bonds , among which are the CO bonds [ 13 ] . According to [ 1 ] , electron correlation effects for the Me2SO molecule are unimportant ; therefore , we ...
... calculated frequencies of stretching vibra- tional modes in systems with multiple bonds , among which are the CO bonds [ 13 ] . According to [ 1 ] , electron correlation effects for the Me2SO molecule are unimportant ; therefore , we ...
Trang 1062
... calculations . The calculated mean vibrational amplitudes coin- cide with those obtained from electron diffraction mea- surements [ 1 , 2 ] . On the other hand , the calculated effective interatomic distances ( R ) are overestimated by ...
... calculations . The calculated mean vibrational amplitudes coin- cide with those obtained from electron diffraction mea- surements [ 1 , 2 ] . On the other hand , the calculated effective interatomic distances ( R ) are overestimated by ...
Nội dung
Vol 45 No 5 | 675 |
Infrared Radiation Spectra of Oxyhydryl Groups | 685 |
Composition and Structure of Fluorinated Graphite Intercalation Compounds with Octafluorotoluene | 692 |
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Academy of Sciences acid analysis angles anions atoms bond lengths calcd calculated cations chelate Chem chemical chloride cm-¹ Co² complexes composition compounds concentration coordination copper(II corresponding crystal structure curve decomposition decrease diffraction patterns dimers electron energy English Translation Copyright equation equilibrium eutectic experimental extraction FGICs fluorine formation frequencies H₂O HF MP2 hydride hydrogen bonds increase Inorganic Chemistry interaction ions isomer kcal/mol Khim ligand MAIK Nauka/Interperiodica melts metal mixture mol/l molecules Moscow NaCl Neorg nitrogen octahedra Original Russian Text oxide oxygen atoms peritectic phase diagram platinum(II plexes polyhedron protons range ratio reaction reagent region Russia Received Russian Academy Russian Journal Russian Text Copyright salts samples shift sodium solid solutions solubility sorbent spectra spectrum studied synthesis Table tellurium temperature ternary thermal tion titration ture unit cell values VD polyhedra vibrations X-ray diffraction X-ray powder diffraction