Russian Journal of Inorganic Chemistry, Tập 27,Trang 1-913British Library Lending Division with the cooperation of the Royal Society of Chemistry, 1982 |
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Kết quả 1-3 trong 80
Trang 135
... energy of the electronic transition between the BMO for the isomers . Since the above decrease in the HOMO is accom- panied by an equal increase in the LUMO the width of the HOMO - LUMO energy gap should be greater for the trans- isomer ...
... energy of the electronic transition between the BMO for the isomers . Since the above decrease in the HOMO is accom- panied by an equal increase in the LUMO the width of the HOMO - LUMO energy gap should be greater for the trans- isomer ...
Trang 156
... energy △ E = E ( Li2H2 ) —2E ( LiH ) = − ( 46-47 ) kcal mole1 ( with allowance for electron correlation in the CEPA approximation , AE = -48.3 kcal mole - 1 ) . 5 For the linear dimer , the dimerisation energy is ( 25-27 ) kcal mole ...
... energy △ E = E ( Li2H2 ) —2E ( LiH ) = − ( 46-47 ) kcal mole1 ( with allowance for electron correlation in the CEPA approximation , AE = -48.3 kcal mole - 1 ) . 5 For the linear dimer , the dimerisation energy is ( 25-27 ) kcal mole ...
Trang 323
... energy with respect to the symmetry coordinates S by the method of finite differ- ences using the values ASi = 0.1 a.u. Results of the Calculations Li2H * . In agreement with earlier data " , the calculations of the present work showed ...
... energy with respect to the symmetry coordinates S by the method of finite differ- ences using the values ASi = 0.1 a.u. Results of the Calculations Li2H * . In agreement with earlier data " , the calculations of the present work showed ...
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Journal | 1 |
XRay diffraction study and relationship of | 10 |
Polonium dioxide vapour systems with zinc | 17 |
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absorption acid Akad alkali metal anion aqueous solutions atoms bands barium barium oxide bonds caesium calcium calculated cations chelate Chem chemical Chemistry chloride cm-¹ cm¯¹ cm¹ cobalt(II complex formation composition concentration coordination copper(II corresponding crystallisation crystals curve determined electronic enthalpies equilibrium erbium eutectic experimental extraction Figure groups H₂O hafnium heating indium infrared spectra Inorg Inorganic interaction investigation ions isovaleric acid Khim Khimiya lanthanide lattice ligand magnetic maleates mass melting points method mixture molar ratio mole molecules Moscow Nauk SSSR Neorg nitrate obtained oxide oxygen parameters physicochemical polonium polonium dioxide potassium precipitate properties protons Raman range reaction rhenium Russ salts shows sodium sodium monofluorophosphate solid solutions solubility solvent sorption specimens spectrum structure studied sulphate synthesis system at 25 temperature ternary tion titanium Translated from Zhurnal tungstate wavenumbers X-ray diffraction X-ray diffraction patterns Zhur Zhur.Neorg Zhurnal Neorganicheskoi Khimii zinc zirconium