Modeling Marvels: Computational Anticipation of Novel Molecules

Author:   Errol G. Lewars
Publisher:   Springer
Edition:   Softcover reprint of hardcover 1st ed. 2008
ISBN:  

9789048177806


Pages:   282
Publication Date:   19 October 2010
Format:   Paperback
Availability:   In Print   Availability explained
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Modeling Marvels: Computational Anticipation of Novel Molecules


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Overview

The aim of this book is to survey a number of chemical compounds that some chemists, theoretical and experimental, find fascinating. Some of these compounds, like planar carbon species or oxirene, offer no obvious practical applications; nitrogen oligomers and polymers, in contrast, have been touted as possible high-energy-density materials. What unites this otherwise eclectic collection is that these substances are unknown and offer a challenge to theory and to synthesis. That such a challenge exists is in some cases almost obvious to most chemists. The instability of nitrogen polymers, for example, might be taken nearly as an axiom, to be quantified, but not refuted by computations and to be subjected to an almost superfluous (but rather challenging) validation by synthesis. On the other hand, oxirene, the unsaturated relative of the prosaic oxirane, presents no immediately obvious oddity, yet this molecule has defied all attempts at synthesis and remains a theoretical conundrum, in that it is not certain if it can even exist! It is hoped that this collection of idiosyncratic molecules will appeal to chemists who find the study of chemical oddities interesting and, on occasion, even rewarding. ""A great romp through imagined molecules, a challenge to the talents of synthetic chemists! Errol Lewars leads us expertly through a wonderland of the chemical imagination, fascinating molecular structures that do not (yet) exist!"" Prof. Roald Hoffmann - Nobel Laureate, Chem. 1981- Cornell University, New York, USA ""This book is an educational and enjoyable read, devoted to species on the fringes of chemical, calculation and conceptual plausibility"" Prof. Joel Liebman, University of Maryland, Baltimore County, USA

Full Product Details

Author:   Errol G. Lewars
Publisher:   Springer
Imprint:   Springer
Edition:   Softcover reprint of hardcover 1st ed. 2008
Dimensions:   Width: 15.50cm , Height: 1.50cm , Length: 23.50cm
Weight:   0.456kg
ISBN:  

9789048177806


ISBN 10:   9048177804
Pages:   282
Publication Date:   19 October 2010
Audience:   Professional and scholarly ,  Professional and scholarly ,  Professional & Vocational ,  Postgraduate, Research & Scholarly
Format:   Paperback
Publisher's Status:   Active
Availability:   In Print   Availability explained
This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us.

Table of Contents

Planar Carbon.- Pyramidal Carbon.- Oxirene.- Nitrogen Pentafluoride and Related Compounds.- Helium Compounds.- Tetrahedrane.- Orthogonene.- Hexaphenylethane.- Ethenedione, C2O2.- Nitrogen Oligomers and Polymers: Superfuels or Chimeras?.- Oligomers and Polymers of Carbon Dioxide and CO2/N2.- Polyprismanes. Flights of Fun and Fancy.- A Menagerie of Molecules from Michl and Balaji: Superstrained Molecules.- Summary.

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