Quarterly Journal of the Chemical Society of London, Volume 7 |
From inside the book
Results 1-3 of 82
Page 1252
... Energy ( ev ) Energy ( ev ) -578-8 -5790 -580-0 2.6 1 3-0 L 3.4 O - H .... N Distance ( Å ) ( b ) ( a ) 3.8 O - H Distance ( Å ) FIGURE 1 ( a ) Total energy ( by the EHT method ) of the methanol - benzene system as a function of O - H ...
... Energy ( ev ) Energy ( ev ) -578-8 -5790 -580-0 2.6 1 3-0 L 3.4 O - H .... N Distance ( Å ) ( b ) ( a ) 3.8 O - H Distance ( Å ) FIGURE 1 ( a ) Total energy ( by the EHT method ) of the methanol - benzene system as a function of O - H ...
Page 1432
... energy of the ground state of chlorine in this approximation is -917-0090 Ry compared with -915-7018 Ry . from the use of Slater's rules for ex- ponents and with the Hartree - Fock energy of -918-9638 Ry . The 1s and 2s exponents ...
... energy of the ground state of chlorine in this approximation is -917-0090 Ry compared with -915-7018 Ry . from the use of Slater's rules for ex- ponents and with the Hartree - Fock energy of -918-9638 Ry . The 1s and 2s exponents ...
Page 1569
... energy and the appropriate difference in SCF total energy corresponding to the removal of an electron from the TABLE 2 Comparison of orbital energies with the energy differences for electron removal from the neutral phosphorus atom ...
... energy and the appropriate difference in SCF total energy corresponding to the removal of an electron from the TABLE 2 Comparison of orbital energies with the energy differences for electron removal from the neutral phosphorus atom ...
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 | |
122 other sections not shown
Other editions - View all
Common terms and phrases
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