Re: CCL:Pseudorotation?

From: "C.F. Matta" <mattacf { *at * } mcmail.cis.McMaster.CA>
Subject: Re: CCL:Pseudorotation?
Date: Mon, 17 Jan 2000 23:50:10 -0500 (EST)
 Dear Dr. Harris,
  You may try:
 [1] D.Cremer & J.A.Pople "A general definition of rung puckering
     coordinates" J.Am.Chem.Soc 97 (1975) 1354-1358.
 [2] D.Cremer & J.A.Pople "Molecular orbital theory of the electronic
     structure of organic compounds. XXIII. Pseudorotation in saturated
     five-membered ring compounds.  J.Am.Chem.Soc 97 (1975) 1358-1367.
     (and references theirein).
 Take care
 	  C.F.Matta
 .......................................................................
  Cherif F. Matta		  	tel. (905) 525-9140 ext. 22502
  Chemistry Department                   fax  (905) 522-2509
  McMaster University
  Hamilton, Ontario, CANADA L8S 4M1.
 .......................................................................
 On Mon, 17 Jan 2000, Robert E. Harris wrote:
 > Can anyone refer me to papers discussing the small barrier motions in small
 > ring systems that Bill Gwinn and coworkers described as
 "pseudorotation"
 > about 35 years ago?  What I am looking for is methods of calculating
 > contributions to thermodynamic properties (energy, entropy) from such
 > motions.
 > REH
 >
 > Robert E. Harris  Phone: 573-882-3274  Fax:  573-882-2754
 > Department of Chemistry, University of Missouri-Columbia
 > Columbia, Missouri, USA 65211
 >
 >
 >
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