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 #  AuthorTitleAccn#YearItem Type Claims
1 Bertr??n, Juan New Theoretical Concepts for Understanding Organic Reactions I05373 1989 eBook  
2 Bertr??n, Juan Molecular Aspects of Biotechnology: Computational Models and Theories I02213 1992 eBook  
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TitleNew Theoretical Concepts for Understanding Organic Reactions
Author(s)Bertr??n, Juan;Csizmadia, Imre G
PublicationDordrecht, Springer Netherlands, 1989.
DescriptionXXII, 392 p : online resource
Abstract NotePeople who attended the NATO Advanced Study Institute (ASI) entitled NEW THEORETICAL CONCEPTS FOR UNDERSTANDING ORGANIC REAC?? TIONS 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 ma?? terial 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
ISBN,Price9789400923133
Keyword(s)1. EBOOK 2. EBOOK - SPRINGER 3. PHYSICAL CHEMISTRY
Item TypeeBook
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Accession#  Call#StatusIssued ToReturn Due On Physical Location
I05373     On Shelf    

2.    
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TitleMolecular Aspects of Biotechnology: Computational Models and Theories
Author(s)Bertr??n, Juan
PublicationDordrecht, Springer Netherlands, 1992.
DescriptionXIV, 332 p. 23 illus : online resource
Abstract NoteAlthough biotechnology emerged from the genetic engineering revolution of the '70s, the knowledge of the structure of genes revealed its molecular aspects. Molecular biotechnology is a multidisciplinary domain of research in which experiments, simulations, and theories interact. At present, the huge increase in computer power allows us to carry out numerical simulations of biochemical systems. However, a fundamental question appears concerning the sophistication of the model utilized to capture the main features of biomolecules and biochemical processes. In the present book a group of leading specialists in molecular biotechnology provides an answer to this question. This book is thus an excellent tool for those researchers wishing to know the state-of-the-art in this domain. The book spans the range from molecular conformations through protein folding, and from chemical reactivity through enzymatic action. Furthermore, it formulates recommendations for future research in molecular biotechnology
ISBN,Price9789401125383
Keyword(s)1. BIOCHEMISTRY 2. Biochemistry, general 3. Biotechnology 4. Chemoinformatics 5. Computer Applications in Chemistry 6. EBOOK 7. EBOOK - SPRINGER
Item TypeeBook
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Circulation Data
Accession#  Call#StatusIssued ToReturn Due On Physical Location
I02213     On Shelf    

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