Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry: October 12–13, 1987

Preface.- Welcome Address.- The Why’s of this Workshop.- Development of Potential Energy Functions for Use in Conformational Analysis.- Theoretical Studies of the Energetics and Dynamics of the Aqueous and Ionic Environment about Proteins: Crystals of Streptomycess Griseus Protease A.- Bond Lengths in Transition Structures and Intermediates of Cycloaddition Reactions.- Some Aspects of Computational Polymer Quantum Chemistry.- Ab Initio Configuration Interaction Study of Electronic and Geometric Structure of Alkali Metal Clusters.- WIZARD: Artificial Intelligence and Conformational Analysis.- State of the Art iji Vibrational Dynamics of Large Molecules.- Density Functional Theory and First-Principles Pseudopotentials: Two Important Tools in Solid-State Theory.- Autodeductive Modeling and Optimization in Chemometrics.- Statistical Distribution of Molecular Conformations and its Application in QSAR Research.- Molecular Chain Flexibility and Phase Transitions in Polymers.- General Aspects of Computer-Aided Synthesis Planning.- Detection and Structural Description of the Deepest Minima in a Potential Energy Hypersurface.- Monte Carlo Simulation of the Solvation of a Ribonucleotide.- Round Table Discussion on The Organization of a Molecular Modeling Group in a Chemical Industry.- Author Index.