Quarterly Journal of the Chemical Society of London, Volume 7 |
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Page 1252
... method successfully predicts a weak O - H ... hydrogen bond between methanol and benzene ( Figure 1 ) . For reasons which are not very clear , the EHT method does not yield a minimum energy configuration for the pyrrole - pyridine ...
... method successfully predicts a weak O - H ... hydrogen bond between methanol and benzene ( Figure 1 ) . For reasons which are not very clear , the EHT method does not yield a minimum energy configuration for the pyrrole - pyridine ...
Page 1255
... method shows a proton potential function with a very large barrier ( Figure 1 ) . It is encouraging that the EHT method reproduces the double energy minima in hydrogen bonds , but the method almost always shows the energy of the wrong ...
... method shows a proton potential function with a very large barrier ( Figure 1 ) . It is encouraging that the EHT method reproduces the double energy minima in hydrogen bonds , but the method almost always shows the energy of the wrong ...
Page 1294
... Method By R. Fantechi and G. A. Helcké , Chemistry Department , 21020 Centro Euratom di Ispra , Varese , Italy A very simple method of calculation is outlined which can reproduce to a close approximation , e.s.r. - and B - hyperfine ...
... Method By R. Fantechi and G. A. Helcké , Chemistry Department , 21020 Centro Euratom di Ispra , Varese , Italy A very simple method of calculation is outlined which can reproduce to a close approximation , e.s.r. - and B - hyperfine ...
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