Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules

Molecular Information from ESR Spectra: Transition Metal Molecules.- Theoretical Studies of Transition Metal Dimers.- Supersonic Cluster Beams: An Alternative Approach to Surface Science.- Theoretical Characterization of Chemical Reactions of Importance in the Oxidation of Hydrocarbons: Reactions of Acetylene with Hydrogen and Oxygen Atoms.- Dynamics Calculations Based on Ab Initio Potential Energy Surfaces.- The Spectrum, Structure and Singlet-Triplet Splitting in Methylene CH2.- Ab Initio SCF and CI Studies on the Ground State of the Water Molecule. III. Vibrational Analysis of Potential Energy and Property Surfaces.- Intermolecular Interactions Involving First Row Hydrides: Spectroscopic Studies of Complexes of HF, H2O, NH3 and HCN.- Vibrational and Rotational Transitions of Hydrogen Bonded Complexes from Theory and Experiment.- Ab Initio Calculations of Radiative Transition Probabilities in Diatomic Molecules.- Excited States of Li2 and the Ground Electronic State of Li2+.- Theory and Calculations on Small Molecules Using Propagator Methods with an AGP Reference.- Theoretical Dissociation Energies for Ionic Molecules.- Metal Chemical Shifts in NMR Spectroscopy - Ab Initio Calculations and Predictive Models.- Scattering of X-Rays and High-Energy Electrons from Molecules: Comparison of Ab Initio Calculations with Experiment.- Quantum Chemistry Beyond the Algebraic Approximation with Gaussian Geminals.