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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 103, 2005 - Issue 6-8: A Special Issue in Honour of Professor Nicholas C. Handy
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Original Articles

Fragment-oriented design of catalysts based on the activation strain model

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Pages 995-998 | Received 04 Aug 2004, Accepted 29 Oct 2004, Published online: 21 Feb 2007

References

References

  • Collman JP Hegedus LS Norton JR Finke RG Principles and Applications of Organotransition Metal Chemistry, University Science Books Mill Valley CA 1987
  • Elschenbroich Ch. Salzer A Organometallics. A Concise Introduction 2nd edn VCH Weinheim 1992
  • Crabtree , RH . 1995 . Chem. Rev. , 95 : 987
  • van der Boom , ME and Milstein , D . 2003 . Chem. Rev. , 103 : 1759
  • Wen , Y , Porembski , M , Ferrett , TA and Weisshaar , JC . 1998 . J. Phys. Chem. A , 102 : 8362
  • Carroll , JJ , Haug , KL and Weisshaar , JC . 1993 . J. Am. Chem. Soc. , 115 : 6962
  • Carroll , JJ and Weisshaar , JC . 1993 . J. Am. Chem. Soc. , 115 : 800
  • Porembski , M and Weisshaar , JC . 2000 . J. Phys. Chem. A , 104 : 1524
  • Carroll , JJ , Haug , KL , Weisshaar , JC , Blomberg , MRA , Siegbahn , PEM and Svensson , M . 1995 . J. Phys. Chem. , 99 : 13955
  • Weisshaar , JC . 1993 . Acc. Chem. Res. , 26 : 213
  • Wittborn , AMC , Costas , M , Blomberg , MRA and Siegbahn , PEM . 1997 . J. Chem. Phys. , 107 : 4318
  • Siegbahn , PEM . 1994 . J. Am. Chem. Soc. , 116 : 7722
  • Blomberg , MRA , Siegbahn , PEM and Svensson , M . 1992 . J. Am. Chem. Soc. , 114 : 6095
  • Diefenbach , A and Bickelhaupt , FM . 2001 . J. Chem. Phys. , 115 : 4030
  • Bickelhaupt , FM . 1999 . J. Comput. Chem. , 20 : 114
  • Bickelhaupt , FM , Ziegler , T and Schleyer , Pv.R . Organometallics , 14 2288
  • te Velde , G , Bickelhaupt , FM , Baerends , EJ , van Gisbergen , SJA , Fonseca Guerra , C , Snijders , JG and Ziegler , T . 2001 . J. Comput. Chem. , 22 : 931
  • Bickelhaupt FM Baerends EJ Reviews in Computational Chemistry 15 K.B. Lipkowitz and D.B. Boyd (Eds) pp. 1–86 Wiley-VCH New York 2000
  • A negative activation energy does not imply the absence of any barrier. The reaction is still hampered by a barrier relative to the reactant complex and a statistical or entropic bottleneck associated with the decrease in the number of available quantum states as one goes from separate reactants to a more tightly bound transition state.
  • Typical bond strengths: H–H: 104, C–H: 99, C–C: 83, C–Cl: 78 kcal mol−1, see: A.F. Holleman, N. Wiberg Lehrbuch der Anorganischen Chemie, de Gruyter Berlin 1985
  • Extent of bond stretching in the TS: H–H: 85%, C–H: 47%, C–C: 26%, C–Cl: 9%

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