Proceedings of the First Donegani Scientific Workshop on Strategies for Computer Chemistry (eBook, PDF)

October 12-13, 1987
Redaktion: Tosi, Camillo

• Format: PDF

Produktbeschreibung

Zur Zeit liegt uns keine Inhaltsangabe vor.

---

Dieser Download kann aus rechtlichen Gründen nur mit Rechnungsadresse in A, B, BG, CY, CZ, D, DK, EW, E, FIN, F, GR, HR, H, IRL, I, LT, L, LR, M, NL, PL, P, R, S, SLO, SK ausgeliefert werden.

Produktdetails

• Verlag: Springer Netherlands
• Seitenzahl: 266
• Erscheinungstermin: 6. Dezember 2012
• Englisch
• ISBN-13: 9789400925991
• Artikelnr.: 44176293

Inhaltsangabe

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.