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

Author: Camillo Tosi
Publisher: Dordrecht : Springer Netherlands, 1989.
Edition/Format:   eBook : Bibliographic data : EnglishView all editions and formats
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Genre/Form: Electronic books
Additional Physical Format: Printed edition:
Material Type: Bibliographic data, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Camillo Tosi
ISBN: 9789400925991 9400925999 9789401076739 9401076731
OCLC Number: 840304972
Description: 1 online resource (276 pages)
Contents: 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.
Responsibility: edited by Camillo Tosi.

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