Computer Chemistry

ISBN-13: 9783662149294 / Angielski / Miękka / 2013 / 239 str.

Ivar Ugi; K. Bley; J. Brunvoll

Opis

1. R. Carlson, A. Nordahl: Exploring Organic Synthetic Experimental Procedures 2. S.J. Cyvin, B.N. Cyvin, J. Brunvoll: Enumeration of Benzenoid Chemical Isomers with a Study of Constant-Isomer Series 3. E.Hladka, J. Koca, M. Kratochvil, V. Kvasnicka, L. Matyska, J. Pospichal, V. Potucek: The Synthon Model and the Program PEGAS for Computer AssistedOrganic Synthesis 4. K. Bley, B. Gruber, M. Knauer, N. Stein, I. Ugi: New Elements in the Representation of the Logical Structure of Chemistry byQualitative Mathematical Models and Corresponding Data Structures

Spis treści

Exploring organic synthetic experimental procedures.- Enumeration of benzenoid chemical isomers with a study of constant-isomer series.- The synthon model and the program PEGAS for computer assisted organic synthesis.- New elements in the representation of the logical structure of chemistry by qualitative mathematical models and corresponding data structures.