Molecules in Physics, Chemistry, and Biology: Physical Aspects of Molecular Systems

Front Matter....Pages i-xxiv
Front Matter....Pages 1-1
The Mathematical Definition of a Molecule and Molecular Structure....Pages 3-60
From Geometrical Molecules to Topological Molecules: A Quantum Mechanical View....Pages 61-81
Front Matter....Pages 83-83
 Ab-Initio Relativistic Quantum Chemistry....Pages 85-144
Space-Curvature Effects in Atomic and Molecular-Structure Calculations....Pages 145-171
Front Matter....Pages 173-173
Organic and Exotic Molecules in Space....Pages 175-187
Molecular Processes in the Interstellar Medium....Pages 189-203
Front Matter....Pages 205-205
Electric and Magnetic Properties for the Ground and Excited States of Molecular Hydrogen....Pages 207-255
Photoionization Dynamics of Diatomic Molecules....Pages 257-271
Low-Energy Electron-Molecule Dynamics....Pages 273-286
Small Naked Homonuclear Clusters of Transition Metal Atoms....Pages 287-310
Front Matter....Pages 311-311
Understanding the Structure and Spectra of Non-Rigid Molecules....Pages 313-333
Effective Vibration-Rotation Hamiltonian of a Molecule with a Large-Amplitude Internal Motion....Pages 335-348
Ultrafast Dynamics of Diphenyl Polyenes: Experiment, Theory and Models of Conformational Motion Properties....Pages 349-364
Laser-Line Narrowing and Laser-Excited Shpol’skii Effect of Impurity Spectra of Polynuclear Aromatic Hydrocarbon Solids....Pages 365-389
Front Matter....Pages 391-391
Molecular Charge Distributions and Response Functions: Multipolar and Penetration Terms; Application to the Theory of Intermolecular Interactions....Pages 393-415
Towards Classification and Analytical Description of Molecular Interactions Including Quantum-Mechanical Many-Body Effects....Pages 417-505
A Reappraisal of the Hydrogen Bonding Interaction Obtained by Combining Energy Decomposition Analyses and Counterpoise Corrections....Pages 507-559
Front Matter....Pages 561-561
 Ab-Initio Potential Functions for Crystals and Ab-Initio Crystal Orbitals....Pages 563-575
Molecular-Orbital Approach to Crystal-Field Theory for Transition Elements in Solids....Pages 577-597
Lutetium Bisphthalocyanine: The First Molecular Semiconductor....Pages 599-614
Front Matter....Pages 561-561
From Quantum Chemistry to Organic Optical Signal Processing: a Computer-Aided Molecular Engineering Approach....Pages 615-649
Electronic Structure and the Classification of Materials....Pages 651-682
Back Matter....Pages 683-698