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- W630295995 abstract "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." @default.
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- W630295995 date "1989-01-01" @default.
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- W630295995 title "Proceedings of the First Donegani Scientific Workshop on strategies for computer chemistry , October 12-13, 1987" @default.
- W630295995 hasPublicationYear "1989" @default.
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