Proceedings of the 14th Jerusalem Symposium on Quantum Chemistry and Biochemistry, Jerusalem, Israel, April 13-16, 1981
Inhaltsverzeichnis
Intermolecular Forces: What Can Be Learned from Ab Initio Calculations? . - Quantum Mechanical Determination of Intermolecular Interactions. Ab Initio Studies. - Complexes of Neutral Molecules onto Negative Ions. - A Comparison of the Ab Initio Supermolecule and Interaction Approaches: Multipole Moments, Hydrogen Bonding and Ion Pairs. - The Extraction of Intermolecular Potentials from Molecular Scattering Data: Direct Inversion Methods. - Selective Vibrational Inelasticity in Proton-Molecule Collisions. - Accurate Molecular Properties, Their Additivity, and Their Use in Constructing Intermolecular Potentials. - Correlated States in Polyenes and Ion-Radical Organic Solids. - Theoretical Study of the Intermolecular HCL Potential. - New Molecular Bound and Resonance States. - Comparison Between Accurate Ab Initio and Electron Gas Potential Energy Surfaces. - Solute-Solute Interactions in Dilute Solutions of Gases in Liquids. - Studies of Intermolecular Forces by Vibrational Spectroscopy. - Intermolecular Forces and Spectra in Weak Charge Transfer Interactions. - Structure Determination of Collision Complexes by NMR Methods. - Electrostatic and Topological Interactions in DNA. - 1H NMR Study of the Nature of Bonding Interactions Involved in Complexes Between Nucleic Acids and Intercalating Compounds. - DNA Mono and Bisintercalators as Models for the Study of Protein Nucleic Acid Interactions: Origin of the High Affinity and Selectivity. - Empirical Models of Hydration of Small Peptides. - Stacking Interactions in Oligopeptide-Nucleic Acid Complexes. - Interaction Models for Water in Relation to Protein Hydration. - Investigations on the Role of Electrostatic Intermolecular Forces in Liquids. Ground State Properties of Amides in Solution. - On the Role of the Signal Peptide in theInitiation of Protein Exportation. - Monte Carlo Calculations of the Dimensions of Model Peptides and Peptide Hormones Related to Energy Transfer. - On the Relation Between Charge Redistribution and Intermolecular Forces in Models for Molecular Interactions in Biology. - Intermolecular Interactions in an External Electric Field: Application to the Analysis of the Evaluation of Interaction Energies from Field Mass Spectrometry Experiments. - Quantitative Structure Activity Relationships of Anthracycline Antitumor Activity and Cardiac Toxicity Based upon Intercalation Calculations. - A Model for Drug-Receptor Interactions: The Opiate Receptor. A Preliminary Report. - H-Bond-State and Solubility in Aqueous Systems. A Working Hypothesis. - Experimental Studies of Variations of the State of Water in Living Cells. - Structural Variations in a Homologous Series of Fluorinated Tetracyano-p-Quinodimethanes. - Interlayer Properties of Expanded Silicate Structures New Calculational Approaches Concerning Intercalation. - Intermolecular Forces and Lattice Dynamics of Molecular Crystals. - The Motion of Particles Ahead of a Solidification Front.
