Chapter 3.2. Calculations: a Useful Tool for Synthetic Chemists

  1. Prof. Philippe Renaud1 and
  2. Prof. Mukund P. Sibi2
  1. Carl H. Schiesser and
  2. Melissa A. Skidmore

Published Online: 26 MAR 2008

DOI: 10.1002/9783527618293.ch17

Radicals in Organic Synthesis

Radicals in Organic Synthesis

How to Cite

Schiesser, C. H. and Skidmore, M. A. (2001) Calculations: a Useful Tool for Synthetic Chemists, in Radicals in Organic Synthesis (eds P. Renaud and M. P. Sibi), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527618293.ch17

Editor Information

  1. 1

    Universite de Fribourg, Institut de Chimie Organique, Pérolles, CH-1700 Fribourg, Switzerland

  2. 2

    Department of Chemistry, North Dakota State University, Fargo, ND 58105, USA

Publication History

  1. Published Online: 26 MAR 2008
  2. Published Print: 29 MAR 2001

ISBN Information

Print ISBN: 9783527301607

Online ISBN: 9783527618293



  • cyclization reactions;
  • apollo space mission;
  • regiochemistry;
  • trienyl radical;
  • hydrogen transfer reactions


The prelims comprise:

  • Introduction

  • Modeling Radical Cyclization Reactions

  • Modeling Hydrogen Transfer Reactions

  • Modeling Reaction Mechanisms

  • Concluding Remarks