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By Luigi Mandolini, Rocco Ungaro

A learn of the category of artificial macrocycles, known as calixarenes. instead of emphasizing the molecular homes of calixarenes, it covers extensive their supramolecular features, demonstrating the ordinary good points of calixarenes as hosts and as systems for the synthesis of extra advanced reactors and catalysts. issues comprise using calixarenes in: molecular modelling of calixarenes; non-covalent interactions; crystal engineering; cation reputation; anion reputation; supramolecular units; new fabrics; self-assembly tactics; and supramolecular catalysis. The booklet reviews, for every subject, the literature seriously evaluated by means of lively researchers within the box.

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L. J. Comput. Chem. ; Allinger, N. L. J. Comput. Chem. 17 (1996), 730-746; (0 Allinger, N. ; Katzenellenbogen, J. ; Wilson, S. ; Anstead, G. M. J. Comput. Chem. 17(1996), 747-755. ; Cramer, III, R. ; Opdenbosch, N. J. Comput. Chem. 10 (1989), 982- 1012. (a)Lipkowitz, K. ; Boyd, D. B. (Eds) Reviews in Computational Chemistry (VCH, Weinheim, 1990) vol 1-10; (b) Von Rague" Schleyer (Editor in Chief) Encyclopedia of Computational Chemistry (John Wiley & Sons, New York, 1998) vol 1-5. ; Pettersson, I.

C. J. ; Reinhoudt, D. N. Chem. Eur. J. 5 (1999), 90-95. 56 van Veggel, F. C. J. M. J. Phys. Chem. A 101 (1997), 2755-2765. ; Wipff, G. Chem. Eur. J. 3 (1997),1815-1822. ; Varnek, A. New J. Chem. ; Wipff, G. J. Comput. Chem. ; van Gunsteren, W. F. Gazetta Chim. Italiana 127 (1997), 699-708. CHAPTER 3 RECOGNITION OF NEUTRAL MOLECULES BY CALIXARENES IN SOLUTION AND IN GAS PHASE A. POCHINI and A. ARDUINI Dipartimento di Chimica Organica e Industriale , University di Parma, Parco Area delle Scienze 17/a, 1-43100 Parma, Italy.

Den Otter and Briels'$ were the first to actually calculate the rate of interconversion of the de-tert-butylated calix[4]arene, in the gas phase as well as in explicit solvent models, using the so-called reactive flux method . They used the unstable normal mode of the transition state in MD simulations to calculate this rate and found very good agreement with experimental results . Even subtle solvent effects were reproduced with good accuracy. 2. 15 The in/out rotation of a methoxy group has an energy barrier of only 6 -8 kcal/mol, consistent with the upper bound value obtained from the NMR time scale .

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