© 2008

Modeling Marvels

Computational Anticipation of Novel Molecules

  • The first book to feature compounds/classes of compounds of theoretical interest that have been studied theoretically but have defied synthesis

  • Addresses difficult routes of synthesis within organic chemistry

  • Focuses on the molecular modeling and synthesis of unstable molecules


Table of contents

  1. Front Matter
    Pages i-xiv
  2. Errol G Lewars
    Pages 1-12
  3. Errol G Lewars
    Pages 13-29
  4. Errol G Lewars
    Pages 31-52
  5. Errol G Lewars
    Pages 67-80
  6. Errol G Lewars
    Pages 81-104
  7. Errol G Lewars
    Pages 105-113
  8. Errol G Lewars
    Pages 115-129
  9. Errol G Lewars
    Pages 131-140
  10. Errol G Lewars
    Pages 185-226
  11. Errol G Lewars
    Pages 257-273
  12. Back Matter
    Pages 275-282

About this book


The aim of this book is to survey a number of chemical compounds that chemists, both 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.  It is envisioned that this collection of idiosynchractic 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


Computational Chemistry Hydrocarbon chemistry Molecular Modelling Molecular Orbitals Novel Organic Compounds Organic Synthesis Stereochemistry modeling

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