New Theoretical Concepts for Understanding Organic Reactions:
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Bibliographic Details
Other Authors: Beltrán, J. (Editor), Csizmadia, I. G. (Editor)
Format: Electronic eBook
Language:English
Published: Dordrecht Springer Netherlands 1989
Series:NATO ASI Series, Series C: Mathematical and Physical Sciences 267
Subjects:
Online Access:Volltext
Item Description:People who attended the NATO Advanced Study Institute (ASI) entitled NEW THEORETICAL CONCEPTS FOR UNDERSTANDING ORGANIC REACTIONS held at Sant Feliu de Gufxols on the Costa Brava of Spain had a unique experience. They have seen the evolution of the field from qualitative arguments through the generation of Potential Energy Surfaces (PES) to the use of PES in molecular dynamics. The excellent lectures that were dedicated to the various aspects of Potential Energy Surfaces clearly revealed a colossal amount of material that represents our current understanding of the overall problem. It is our hope that the present volume will recreate the excitement in the readers that we all experienced during the meeting in Spain. One can say, without too much exaggeration, that chemistry has become and exercise on potential energy surfaces (PES). Structural (position of the energy minima), spectroscopic (vicinity around the minima), and reactivity (reaction path along the surface) properties may be determined from the analysis of PES. New theoretical tools, together with recent developments in computer technology and programming, have allowed to obtain a better knowledge of these surfaces, and to extract further chemical information from them, so new horizons have been added to Theoretical Organic Chemistry
Physical Description:1 Online-Ressource (XXII, 392 p)
ISBN:9789400923133
9789401075398
ISSN:1389-2185
DOI:10.1007/978-94-009-2313-3

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