<center> <H1> A Computational Model for Stereoselectivity in the Boron-Mediated Aldol Reactions of Methyl Ketones</H1> <H2><A HREF="mailto:annab@iumchx.chimorg.unimi.it">Anna Bernardi</A>,(a) <A HREF="mailto:cesare@iumchx.chimorg.unimi.it">Cesare Gennari</A>,(a) <A HREF="mailto:jmg11@cam.ac.uk">Jonathan M. Goodman</A>,*(b) and <A HREF="mailto:ip100@cus.cam.ac.uk">Ian Paterson</A> (b)</H2> <ADDRESS>(a) Dipartimento di Chimica Organica e Industriale, Universita' di Milano, via Venezian 21, 20133 Milano, Italy<BR> (b) <A HREF="http://www.ch.cam.ac.uk/">University Chemical Laboratory</A>, Lensfield Road, Cambridge CB2 1EW, England</ADDRESS> </center>At least one author should provide an e-mail address. You should include appropriate citations and diagrams, but take care not to make any diagram larger than a standard 14" computer monitor is capable of displaying in its entirety. Users of large (> 19") monitors should be particularly wary.
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<table border> <caption><b>Table 2. Calculated Isotope Effect</b></caption> <tr><th rowspan=2>System</th><th colspan=2>Method</th><th rowspan=2>Literature<br>reference</th></tr> <tr><th>Semi-empirical</th><th><I>Ab initio</I></th></tr> <tr><td align=left><A HREF="dummyentry"><IMG alt="two" SRC="struct1.gif"></A></td> <td>1.9</td> <td>3.1 </td><td>A.Body,<I> J. Am. Chem. Soc.</I>, 1996, 222.</td></tr> <tr><td align=left><IMG alt="one" SRC="struct2.gif"></td><td>5.8 </td><td>6.2 </td><td> <A HREF="http://machine/paper.html">N.O. Body, <I>J. Perkin Trans.</I>, 1998, 222</a></td></tr> </table>Which gives the result:
System | Method | Literature reference |
|
---|---|---|---|
Semi-empirical | Ab initio | ||
1.9 | 3.1 | A.Body, J. Am. Chem. Soc., 1996, 222. | |
5.8 | 6.2 | N.O. Body, J. Perkin Trans., 1998, 222 |
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