CCL: a really silly question



Dear Mr Wood,

In addition to what was said by Mr Shobe, you have 3.15e-8 in your _expression_, while it should read 3.15e-10 (angstroem is 10^-10 m); also, charges should be multiplied not only with 10^-19, but with 1.60218e-19.

With best wishes,
Igors Mihailovs (engineer / PhD student)
Institute of Solid State Physics
University of Latvia


2016-05-12 20:56 GMT+03:00 David Shobe http://avidshobe_-_yahoo.com">avidshobe_-_yahoo.com <owner-chemistry() ccl.net>:
The formula is E = (1 / 4 pi E0) (q1 q2 / r12).   Thus your conversion factor is 1 / (4 pi E0) where E0 = 8.854 187 817... x 10-12  J^-1 C^2 m-1.
Sorry for the lack of typography. 

    On Thursday, May 12, 2016 10:33 AM, Richard Leo Wood rwoodphd##msn.com <owner-chemistry+/-ccl.net> wrote:



Sent to CCL by: "Richard Leo Wood" [rwoodphd ~~ msn.com]
I am trying to compute the electrostatic interaction for a pair of atoms
> from an energy minimized structure.

I have the charges on the two atoms as -0.47 and -0.55.  They are 3.15
Angstroms apart.  So, E = (-0.55*-0.45)e-38 C^2/3.15e-8 m.

I get 8.21e-32 C^2/m.  My question is how do I convert this to Joules?

Richard



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<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:13px"><div id="yui_3_16_0_ym19_1_1463074875924_34604" dir="ltr">The formula is E = (1 / 4 pi E0) (q1 q2 / r12). &nbsp; Thus your conversion factor is 1 / (4 pi E0) where E0 =&nbsp;<b style="color: rgb(255, 0, 0); font-family: monospace; font-size: large; white-space: nowrap; background-color: rgb(204, 226, 243);" id="yui_3_16_0_ym19_1_1463074875924_34936">8.854&nbsp;187&nbsp;817...&nbsp;x&nbsp;10<sup id="yui_3_16_0_ym19_1_1463074875924_34937">-12</sup></b>&nbsp; J^-1 C^2 m-1.</div><div id="yui_3_16_0_ym19_1_1463074875924_34604" dir="ltr"><br></div><div id="yui_3_16_0_ym19_1_1463074875924_34604" dir="ltr">Sorry for the lack of typography.&nbsp;</div> <div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 13px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"><font size="2" face="Arial"> On Thursday, May 12, 2016 10:33 AM, Richard Leo Wood rwoodphd##msn.com &lt;owner-chemistry+/-ccl.net&gt; wrote:<br></font></div>  <br><br> <div class="y_msg_container"><br>Sent to CCL by: "Richard Leo Wood" [rwoodphd ~~ msn.com]<br>I am trying to compute the electrostatic interaction for a pair of atoms <br>&gt; from an energy minimized structure.<br><br>I have the charges on the two atoms as -0.47 and -0.55.&nbsp; They are 3.15 <br>Angstroms apart.&nbsp; So, E = (-0.55*-0.45)e-38 C^2/3.15e-8 m.<br><br>I get 8.21e-32 C^2/m.&nbsp; My question is how do I convert this to Joules?<br><br>Richard<br><br><br><br>-= This is automatically added to each message by the mailing script =-<br>To recover the email address of the author of the message, please change<br>the strange characters on the top line to the +/- sign. You can also<br>look up the X-Original-From: line in the mail header.<br><br>E-mail to subscribers: <a ymailto="mailto:CHEMISTRY+/-ccl.net" href="" href="mailto:CHEMISTRY%2B">CHEMISTRY+/-ccl.net">CHEMISTRY+/-ccl.net</a> or use:<br>&nbsp; &nbsp; &nbsp; <a href="" href="http://www.ccl.net/cgi-bin/ccl/send_ccl_message" rel="noreferrer" target="_blank">http://www.ccl.net/cgi-bin/ccl/send_ccl_message" target="_blank">http://www.ccl.net/cgi-bin/ccl/send_ccl_message</a><br><br>E-mail to administrators: <a ymailto="mailto:CHEMISTRY-REQUEST+/-http://ccl.net" rel="noreferrer" target="_blank">ccl.net" href="" href="mailto:CHEMISTRY-REQUEST%2B">CHEMISTRY-REQUEST+/-ccl.net">CHEMISTRY-REQUEST+/-ccl.net</a> or use<br>&nbsp; &nbsp; &nbsp; <a href="" href="http://www.ccl.net/cgi-bin/ccl/send_ccl_message" rel="noreferrer" target="_blank">http://www.ccl.net/cgi-bin/ccl/send_ccl_message" target="_blank">http://www.ccl.net/cgi-bin/ccl/send_ccl_message</a><br><br<br>&nbsp; &nbsp; &nbsp; <a href="" href="http://www.ccl.net/chemistry/sub_unsub.shtml" rel="noreferrer" target="_blank">http://www.ccl.net/chemistry/sub_unsub.shtml" target="_blank">http://www.ccl.net/chemistry/sub_unsub.shtml</a><br><br>Before posting, check wait time at: <a href="" href="http://www.ccl.net/" rel="noreferrer" target="_blank">http://www.ccl.net/" target="_blank">http://www.ccl.net</a><br><br>Job: <a href="" href="http://www.ccl.net/jobs" rel="noreferrer" target="_blank">http://www.ccl.net/jobs" target="_blank">http://www.ccl.net/jobs </a><br>Conferences: <a href="" href="http://server.ccl.net/chemistry/announcements/conferences/" rel="noreferrer" target="_blank">http://server.ccl.net/chemistry/announcements/conferences/" target="_blank">http://server.ccl.net/chemistry/announcements/conferences/</a><br><br>Search Messages: <a href="" href="http://www.ccl.net/chemistry/searchccl/index.shtml" rel="noreferrer" target="_blank">http://www.ccl.net/chemistry/searchccl/index.shtml" target="_blank">http://www.ccl.net/chemistry/searchccl/index.shtml</a><br><br<br>&nbsp; &nbsp; &nbsp; <a href="" href="http://www.ccl.net/spammers.txt" rel="noreferrer" target="_blank">http://www.ccl.net/spammers.txt" target="_blank">http://www.ccl.net/spammers.txt</a><br><br>RTFI: <a href="" href="http://www.ccl.net/chemistry/aboutccl/instructions/" rel="noreferrer" target="_blank">http://www.ccl.net/chemistry/aboutccl/instructions/" target="_blank">http://www.ccl.net/chemistry/aboutccl/instructions/</a><br><br><br><br><br></div>  </div> </div>  </div></div></body></html>