Understanding Molecular Properties: A Symposium in Honour of Professor Carl Johan Ballhausen, held at The Royal Danish Academy of Sciences and Letters, April 4 and 5, 1986

Front Matter....Pages i-x
Electronic Spectroscopy of Metal-Metal σ-Symmetry Interactions....Pages 1-16
Metal Metal Bonds in Edge Sharing Bioctahedra....Pages 17-26
Recent Developments in Inorganic Spectroscopy....Pages 27-68
Exchange Effects in Polynuclear Chromium (III) Complexes....Pages 69-83
Jahn-Teller Distortion of the 4 T 1 (G) State Of MnCl 4 2- in Cs 3 MnCl 5 ....Pages 85-93
AB Initio Calculation of Electronic Transitions in Transition Metal Complexes....Pages 95-110
The Cellular Ligand-Field Model....Pages 111-142
The Orthonormal Operator Formulation of Symmetry-Based Ligand Fields: Rhombohedral Hierarchies as a General Example....Pages 143-175
High and Low-Spin Interconversion in a Series of Tris (Pyridylmethylamine) Iron(II) Complexes....Pages 177-185
Tetracyanobiimidazole: A Polyploid of Distinction....Pages 187-194
The Intensities of Vibronic Origins in Transition Metal Complex Ions....Pages 195-203
Photon Echoes in Multilevel Systems....Pages 205-227
Solvent Dynamical and Symmetrized Potential Aspects of Electron Transfer Rates....Pages 229-236
A Theoretical Approach to Chemical Reactions at Solid Surfaces....Pages 237-249
Electron Beams in Surface Analysis....Pages 251-258
The Spectral Properties of Molecular Propellers, with Applications to Werner-Type Complexes....Pages 259-260
Insights into Hemoglobin Dynamics from Resonance Raman Spectroscopy....Pages 261-275
Spin Uncoupling in the 6s Rydberg States of Methyl Iodide: The Rotational Sub-Band Structure of the one- and Two-Photon Absorption....Pages 277-296
Spectroscopy as a Probe of Intermolecular Interactions....Pages 297-307
Solvent, Temperature, and Band Asymmetry Features of Optical Charge Transfer Transitions in Solute Molecules in Liquids and Glasses....Pages 309-332
The Theory of Vibrational Optical Activity....Pages 333-342
Understanding Molecular Optical Activity....Pages 343-357
Optical Activity (CD and CPL) as a Probe of Ion Pairing and Solution Structure of Macrocycle Complexes....Pages 359-377
Optical Properties of Large Molecules in the Frenkel Exciton Approximation....Pages 379-402
Two-Photon Spectroscopy of Lanthanide (III) Complexes....Pages 403-412
Experimental Research in the Optical Laboratory of Chemical Laboratory IV, H.C. Ørsted Institute....Pages 413-423
Molecules: Rigid/Floppy or Solid/Liquid?....Pages 425-448
Understanding Floppy Molecules....Pages 449-463
Stability and Conformation of Silicon-Carbon Compounds. A Case Study of SiC 2 , Si 2 C and Si 3 ....Pages 465-480
Water and Aqueous Solutions....Pages 481-487
The Effect of Structure and Solvation on the Thermodynamic Parameters for the Formation of Singly and Doubly Charged Ions of Organic Compounds in Solution....Pages 489-502
The Energies of 3-Electron Atomic Systems Calculated by Hylleraas Type Wave Functions....Pages 503-510
Hartree-Fock Pathology and Large Molecules....Pages 511-519
On the Relation between Relativity and Periodic Trends within a Triad of Transition Metals....Pages 521-532
A Symmetric Group Approach to the Calculation of Electronic Correlation Effects in Molecules....Pages 533-546
Transverse Susceptibility of Spin-S Ising Chains in the Presence of a Crystal Field....Pages 547-554
Chemical Bonds and Electronic States of Transition Metal Containing Diatomics....Pages 555-583
Back Matter....Pages 585-598