<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40"><head><meta http-equiv=Content-Type content="text/html; charset=us-ascii"><meta name=Generator content="Microsoft Word 12 (filtered medium)"><style><!--
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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoNormal>Hello,<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Your first draft of your group paper for the aromaticity project is due by 2:00 pm on Monday, November 11. You should follow the JACS article template and include the following:<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo1'><![if !supportLists]><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> </span></span><![endif]><b> Partial Introduction</b>: You should provide a rationalization of how your experimental/theoretical results will/can be used to rank the aromatic characteristics of your molecules.<o:p></o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo1'><![if !supportLists]><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> </span></span><![endif]><b>Complete experimental section</b>: you should include all necessary details about the methodology of your three (or four) metrics.<o:p></o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo1'><![if !supportLists]><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'> </span></span><![endif]><b>Partial results:</b> including all necessary calculations (at least a sample calculation for each metric, where applicable), that demonstrate that each metric is a viable means to assess aromaticity. For calorimetry, at minimum you should find the calibration standard AND calculate deltaH for at least one of your molecules. Comparison to literature results (may require calculation!) is recommended. If you are still having issues with displayed equations, please see Dr. Pounds by 2 pm Friday.<o:p></o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo1'><![if !supportLists]><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'> </span></span><![endif]><b>Partial discussion</b>: demonstrate preliminary attempts to rank molecules by aromaticity. <o:p></o:p></p><p class=MsoNormal style='margin-left:.25in'><o:p> </o:p></p><p class=MsoNormal style='margin-left:.25in'>Note: at this time, we are not requiring that you perform error analysis, although you are welcome to start.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>As a reminder, here is an excerpt from the Instruction for Authors:<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Page 16: “<b><span style='font-size:11.5pt'>Computations. </span></b><span style='font-size:11.5pt'>When computational results are an essential part of a manuscript, sufficient detail must be given, either within the paper or in the Supporting Information, to enable readers to reproduce the calculations. This includes data such as force field parameters and equations defining the model (or references to where such material is available in the open literature). If the software used for calculations is generally available, it must be properly cited in the References and Footnotes. References to the methods upon which the software is based must also be provided. Results obtained from methods or parameters that are not adequately described in the manuscript or in the literature are not acceptable for publication. Authors who report the results of electronic structure calculations are requested to provide as Supporting Information the geometries (either as Cartesian coordinates or <i>Z </i>matrices) of all the stationary points whose relative energies are given in the manuscript. The absolute energies in hartrees that are computed at these geometries should not be given in the manuscript but should be included in the Supporting Information. Where applicable, the number of imaginary frequencies should be reported to identify stable structures and transition states.”</span><o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Dr. Kloepper and Dr. Pounds<o:p></o:p></p><p class=MsoNormal><span style='font-size:10.0pt'>_________________________________________<br><br>Kathryn D. Kloepper, Ph.D.<br>Assistant Professor of Chemistry<br><br>Mercer University<br>1400 Coleman Ave.<br>Macon, GA 31207<br>Phone: 478-301-5308 Fax: 478-301-2802<br><a href="http://faculty.mercer.edu/kloepper_kd/">http://faculty.mercer.edu/kloepper_kd/</a><o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt'>_________________________________________</span><o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>