Quarterly Journal of the Chemical Society of London, Volume 7 |
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Page 1253
... densities are in the expected direction . An analysis of the EHT charges shows a decrease in the charge density at the Y site and an increase at the X site . The л density remains unaffected at both the atoms . The CNDO / 2 calculations ...
... densities are in the expected direction . An analysis of the EHT charges shows a decrease in the charge density at the Y site and an increase at the X site . The л density remains unaffected at both the atoms . The CNDO / 2 calculations ...
Page 1335
... density on phosphorus . Alternatively , direct π - overlap will put positive spin - density on the oxygen atom linking carbon and phosphorus , which , in turn , will induce a spin - polarisation in the O - P o - bond which will result ...
... density on phosphorus . Alternatively , direct π - overlap will put positive spin - density on the oxygen atom linking carbon and phosphorus , which , in turn , will induce a spin - polarisation in the O - P o - bond which will result ...
Page 1999
... density ( aa ) on the central atom ( 8 ) 80 Derived spin - densities for 14N and 31P in NO , 2- and PO , 2- radicals . a , ' and ap2 are the spin - densities in the appropriate s and p atomic orbitals derived from the isotropic and ...
... density ( aa ) on the central atom ( 8 ) 80 Derived spin - densities for 14N and 31P in NO , 2- and PO , 2- radicals . a , ' and ap2 are the spin - densities in the appropriate s and p atomic orbitals derived from the isotropic and ...
Contents
Inorganic physical and theoretical chemistry | 1001 |
J ROBINSON and C H L KENNARD | 1008 |
Nearestneighbour model for transfer of electronic excitation energy | 1016 |
Copyright | |
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absorption acid Acta adducts Amer anion aqueous assigned atoms band benzene bond calculated cancrinite carbon cation Chem chemical chemical shifts Chemistry chloride cm.¹ co-ordination cobalt(II complex compounds concentration configuration crystals density effect electron energy enthalpy equation equilibrium ethanol experimental Figure fluorine formation frequency H₂O hydrogen i.r. spectrum increase Inorg intensity interaction iron(II k₁ ligand linear magnetic measured metal methaemoglobins method methyl mixture modes mole mole-¹ molecular molecule n.m.r. spectra niobium nitrogen Nujol observed obtained orbitals oxidation oxygen parameters peak perchlorate perchloric acid phenyl phosphine phosphorus Phys potassium prepared present proton pyridine radical Raman rate constant reaction resonance ring room temperature salt sample shift shown sodalite sodium solid solution solvent species spectra structure studied sulphur symmetry Table thiocyanate tion trans tributyl phosphate triphenylphosphine values vanadium(IV vibrations X-ray zeolite