Quarterly Journal of the Chemical Society of London, Volume 7 |
From inside the book
Results 1-3 of 75
Page 1192
... Parameters . - With the initial choice of parameters ( Boo = -2.39 ev at 1 · 397 Å ) , calculations were performed for six polynuclear aromatic hydrocarbons , with SCF bases and CI among ca. 10 configurations . metries were taken from ...
... Parameters . - With the initial choice of parameters ( Boo = -2.39 ev at 1 · 397 Å ) , calculations were performed for six polynuclear aromatic hydrocarbons , with SCF bases and CI among ca. 10 configurations . metries were taken from ...
Page 1361
... parameters of the structure are in Table 2 , and the thermal parameters are given in Table 3 , both with standard TABLE 2 Final positional parameters errors from the inverse matrix . Figure 1 shows the directions of vibration of the ...
... parameters of the structure are in Table 2 , and the thermal parameters are given in Table 3 , both with standard TABLE 2 Final positional parameters errors from the inverse matrix . Figure 1 shows the directions of vibration of the ...
Page 1697
... parameters was carried out by use of the block - diagonal least - squares approximation as pre- viously described . With unit weights and individual isotropic thermal parameters convergence was reached in eight cycles with R 0.12 . = A ...
... parameters was carried out by use of the block - diagonal least - squares approximation as pre- viously described . With unit weights and individual isotropic thermal parameters convergence was reached in eight cycles with R 0.12 . = A ...
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