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0038012312
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note
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C4a = +0.30e; B3LYP/ 6-311 + +G(d,p).
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manuscript submitted
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A more detailed DFT study is presently underway: S. N. Lill, G. Rauhut, E. Anders, manuscript submitted.
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[14-16] causes a lengthening and consequently a weakening of his C-S bond.
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For an introduction and further experimental applications compare: [13b] E. Juaristi, in Introduction to Stereochemistry and Conformational Analysis, John Wiley & Sons, Inc., New York, Chichester, Brisbane, Toronto, Singapore, 1991. [13c] E. Juaristi, in Conformational Behavior of Six-Membered Rings: Analysis, Dynamics, and Stereoelectronic Effects, VCH Publishers, Inc. 1995. [13d] P. Deslongchamps, in Stereoelectronic Effects in Organic Chemistry, Pergamon Press, Oxford, New York, Sydney, Paris, Frankfurt, 1984.
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0038012317
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CCDC 192224-192227 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; Fax: (+44) 1223-336-033; E-mail: deposit@ccdc.cam.ac.uk).
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