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The state-of-the-art in contemporary theoretical chemistry is presented in this four volume set with numerous contributions from various highly regarded experts in their field. It provides an introduction and critical evaluation of theoretical approaches in relation to experimental evidence. This research text on theoretical chemistry, molecular structures, chemical bonding and molecular spectroscopy is intended for advanced students, academic and industrial researchers.
Contents: J.E. Boggs, Austin, TX: Nuclear Vibrations and Force Constants.- H.P. Figeys, P. Geerlings, Brussels, Belgium: Some Aspects of the Quantum-Chemical Interpretation of Integrated Intensities of Infrared Absorption Bands.- S.P. McGlynn, K. Wittel, Baton Rouge, LA; L. Klasinc, Zagreb, Yugoslavia: The Orbital Concept as a Foundation for Photoelectron Spectroscopy.- E. Honegger, Basel, Switzerland; E. Heilbronner, Herrliberg, Switzerland: The Equivalent Bond Orbital Model and the Interpretation of PE Spectra.- M. Eckert-Maksic, Zagreb, Yugoslavia: Through-space and Through-bond Interactions as Mirrored in Photoelectron Spectra.- K. Ohno, Y. Harada, Tokyo, Japan: Penning Ionization - The Outer Shape of Molecules.- K. Jug, Hannover, FRG; Z.B. Maksic, Zagreb, Yugoslavia: The Meaning and Distribution of Atomic Charges in Molecules.- Z.B. Maksic, Zagreb, Yugoslavia: Electron Spectroscopy for Chemical Analysis (ESCA) - Basic Features and Their Model Description.- K.T. Leung, Waterloo, Canada: Experimental Momentum-Space Chemistry by (e, 2e) Spectroscopy.- J. Kowalewski, A. Laaksonen, Stockholm, Sweden: Theoretical Parameters of NMR Spectroscopy.- D. Feller, E.R. Davidson, Bloomington, IN: Theoretical Approaches to ESR Spectroscopy.- C.J. Jameson, Chicago, IL: Rovibrational Averaging of Molecular Electronic Properties.- M. Klessinger, T. P"tter, Mnster, FRG: Properties of Molecules in Excited States.- J. Tomasi, G. Alagona, R. Bonaccorsi, C. Ghio, Pisa, Italy; R. Cammi, Parma, Italy: Semiclassical Interpretation of Intramolecular Interactions.- F. Bernardi, Bologna, Italy; M. Olivucci, M.A. Robb, London, UK: The Analysis of Potential Energy Surfaces in Terms of the Diabatic Surface Model.