From owner-chemistry@ccl.net Sat Dec  1 06:37:00 2007
From: "mohamed aish mhmdaish!^!yahoo.com" <owner-chemistry|*|server.ccl.net>
To: CCL
Subject: CCL: basis set erroneous concept
Message-Id: <-35743-071201063545-28832-dUgs6+uhT+480Ayo76rvnA|*|server.ccl.net>
X-Original-From: mohamed aish <mhmdaish(!)yahoo.com>
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Date: Sat, 1 Dec 2007 03:35:34 -0800 (PST)
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Sent to CCL by: mohamed aish [mhmdaish{=}yahoo.com]
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Hi All;
  I am a new in computational chemistry field. Now, I am reading about the basis sets. There are something confused me and would be appreciative if anyone helps me to correct my erroneous concepts.
  Suppose that we have a compound containing carbons with sp2 and sp3 hybridization, for example CH3CH=CH2, and the basis set is 6-31G. Now my question is: 6-31G basis set for Csp3 is similar to 6-31G basis set for Csp2. Is this right??!! Please correct my concept.
   
  Thanks a Lot
   

       
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<div class=MsoNormal style="MARGIN: 0cm 0cm 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: left"><FONT face="Times New Roman" size=3>Hi All;</FONT></div>  <div class=MsoNormal style="TEXT-JUSTIFY: kashida; MARGIN: 0cm 0cm 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: justify; TEXT-KASHIDA: 0%"><FONT size=3><FONT face="Times New Roman">I am a new in computational chemistry field. Now, I am reading about the basis sets. There <SPAN style="mso-bidi-language: AR-JO">are something confused me and would be appreciative if anyone helps me to correct my erroneous concepts.<?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></SPAN></FONT></FONT></div>  <div class=MsoNormal style="TEXT-JUSTIFY: kashida; MARGIN: 0cm 0cm 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: justify; TEXT-KASHIDA: 0%"><SPAN style="mso-bidi-language: AR-JO"><FONT size=3><FONT face="Times New Roman">Suppose that we have a compound containing carbons with
 sp<SUP>2</SUP> and sp<SUP>3</SUP> hybridization, for example CH<SUB>3</SUB>CH=CH<SUB>2</SUB>, and the basis set is 6-31G. Now my question is: 6-31G basis set for C<SUB>sp3</SUB> is similar to 6-31G basis set for C<SUB>sp2</SUB>. Is this right??!! Please correct my concept.<o:p></o:p></FONT></FONT></SPAN></div>  <div class=MsoNormal style="TEXT-JUSTIFY: kashida; MARGIN: 0cm 0cm 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: justify; TEXT-KASHIDA: 0%"><SPAN style="mso-bidi-language: AR-JO"><o:p><FONT face="Times New Roman" size=3>&nbsp;</FONT></o:p></SPAN></div>  <div class=MsoNormal style="TEXT-JUSTIFY: kashida; MARGIN: 0cm 0cm 0pt; DIRECTION: ltr; unicode-bidi: embed; TEXT-ALIGN: justify; TEXT-KASHIDA: 0%"><SPAN style="mso-bidi-language: AR-JO"><FONT size=3><FONT face="Times New Roman">Thanks a <?xml:namespace prefix = st1 ns = "urn:schemas-microsoft-com:office:smarttags" /><st1:place w:st="on">Lot</st1:place></FONT></FONT><o:p></o:p></SPAN></div> 
 <div>&nbsp;</div><p>&#32;
      <hr size=1>Be a better sports nut! Let your teams follow you 
with Yahoo Mobile. <a href="http://us.rd.yahoo.com/evt=51731/*http://mobile.yahoo.com/sports;_ylt=At9_qDKvtAbMuh1G1SQtBI7ntAcJ
">Try it now.</a>
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