Critical Evaluation of Chemical and Physical Structural Information: Proceedings of a ConferenceDavid R. Lide, Martin Ambrose Paul |
Contents
Introduction to Todays Data Analysis | 3 |
Comments on the Fitting of Power Series | 15 |
Analysis Calculations | 45 |
Copyright | |
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accuracy Acta Cryst amplitudes analysis angles anharmonic anisotropies atoms average axis band barrier bond lengths calculated Chem chemical shift cm¹ coordinates correct coupling constants crystal structure determined deuterium diamagnetic discussed distribution effects electron density electron diffraction energy levels equations estimate experimental factor Figure force constants force field frequencies function geometry Hamiltonian harmonic force hydrogen hyperfine infrared intensity interaction isotopic Kuchitsu lattice least squares linear lines measured method microwave molecular molecular geometry molecules moments of inertia Morino neutron nuclear nuclei observed obtained peak percent phase Phys potential problem protein proton quadrupole coupling constant Raman refinement residuals resonance rotational constants scattering shielding space group spectra Spectrosc spectroscopy spectrum spin standard deviations structural parameters studies susceptibility symmetry systematic errors Table techniques tensor tion torsional transitions uncertainties unit cell values vibrational W. H. Flygare weights x-ray