Intermolecular Forces

Proceedings of the 14th Jerusalem Symposium on Quantum Chemistry and Biochemistry, Jerusalem, Israel, April 13-16, 1981

Contenu

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 the Initiation 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.