From owner-chemistry@ccl.net Thu Dec 23 08:00:01 2010
From: "Stephen Bowlus chezbowlus.:.comcast.net" <owner-chemistry_-_server.ccl.net>
To: CCL
Subject: CCL: calculation of logP using atom contribution
Message-Id: <-43450-101222195651-7515-KozQ6m4B28buu3FJHUDn/g_-_server.ccl.net>
X-Original-From: Stephen Bowlus <chezbowlus,+,comcast.net>
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Sent to CCL by: Stephen Bowlus [chezbowlus/./comcast.net]

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What seems to work is the usual rules, supplemented by the rule: bonds  
to the same element don't count. In the usual formulation of the  
rules, this addition is a generalization of "elements have an  
oxidation state of 0" and is why the "exception" of oxygen = -1 in  
peroxides works.  The only place this is addressed, as far as I know,  
is in general chemistry texts. The expanded rule can be justified on  
the basis that the electrons in a bond between the same elements are  
shared equally.

One does get some wierdnesses depending on how the carbon is  
substituted, but the _change_ in oxidation states in the course of  
reaction seems reasonable. So the concept is successful as a  
bookkeeping method. One has to remember that it is the change in most  
cases that is physically relevant; otherwise, oxidation state is  
calculated on a completely non-physical basis.

There is actually a nice Wikipedia article "Oxidation State" that  
shows situations as carbon's oxidation state varies from +4 (carbon  
tetrachloride) to -4 (methane).  For an acetylene that you describe, I  
would calculate the oxidation state as -1.  C-1 of propyne would be  
-1, C-2 would be 0 and C-3 would be -3. The four H's (a +1 each) make  
the molecule neutral.

Steve

On Dec 22, 2010, at 12:31 PM, Loan Huynh huynhkl2000 _ yahoo.ca wrote:

> Dear CCL,
>
> I am currently calculating the logP values using the atom  
> contribution by Grosh and Crippen ( J. Computational Chemistry,  
> 1988, 9, p.80-90).
>
>
> I have done quite a lot of searching on calculating the oxidation  
> state of carbon. However, I have trouble calculating the formal  
> oxidation number of various hybridization carbons.  For example, for  
> H attached to sp carbon, I cannot obtain the formal charge of 3 for  
> sp carbon.
>
>
> Is there any document that shows the calculation of oxidation number  
> for sp carbon?
>
>
> Thank you very much for your help,
>
>
> Loan
>
>
>


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<html><body style=3D"word-wrap: break-word; -webkit-nbsp-mode: space; =
-webkit-line-break: after-white-space; ">What seems to work is the usual =
rules, supplemented by the rule: bonds to the same element don't count. =
In the usual formulation of the rules, this addition is a generalization =
of "elements have an oxidation state of 0" and is why the "exception" of =
oxygen =3D -1 in peroxides works. &nbsp;The only place this is =
addressed, as far as I know, is in general chemistry texts. The expanded =
rule can be justified on the basis that the electrons in a bond between =
the same elements are shared equally.<div><br></div><div>One does get =
some wierdnesses depending on how the carbon is substituted, but the =
_change_ in oxidation states in the course of reaction seems reasonable. =
So the concept is successful as a bookkeeping method. One has to =
remember that it is the change in most cases that is physically =
relevant; otherwise, oxidation state is calculated on a completely =
non-physical basis.</div><div><br></div><div>There is actually a nice =
Wikipedia article "Oxidation State" that shows situations as carbon's =
oxidation state varies from +4 (carbon tetrachloride) to -4 (methane). =
&nbsp;For an acetylene that you describe, I would calculate the =
oxidation state as -1. &nbsp;C-1 of propyne would be -1, C-2 would be 0 =
and C-3 would be -3. The four H's (a +1 each) make the molecule =
neutral.</div><div><br></div><div>Steve</div><div><br><div><div>On Dec =
22, 2010, at 12:31 PM, Loan Huynh huynhkl2000 _ yahoo.ca wrote:</div><br =
class=3D"Apple-interchange-newline"><blockquote type=3D"cite"><table =
cellspacing=3D"0" cellpadding=3D"0" border=3D"0"><tbody><tr><td =
valign=3D"top" style=3D"font: inherit;"><!--[if gte mso 9]><xml> =
<w:WordDocument>  <w:View>Normal</w:View>  <w:Zoom>0</w:Zoom>  =
<w:Compatibility>   <w:BreakWrappedTables/>   <w:SnapToGridInCell/>   =
<w:WrapTextWithPunct/>   <w:UseAsianBreakRules/>   <w:UseFELayout/>  =
</w:Compatibility>  =
<w:BrowserLevel>MicrosoftInternetExplorer4</w:BrowserLevel> =
</w:WordDocument> </xml><![endif]--><!--[if gte mso 10]> <style> /* =
Style Definitions */ table.MsoNormalTable 	{mso-style-name:"Table =
Normal"; 	mso-tstyle-rowband-size:0; 	=
mso-tstyle-colband-size:0; 	mso-style-noshow:yes; 	=
mso-style-parent:""; 	mso-padding-alt:0in 5.4pt 0in 5.4pt; 	=
mso-para-margin:0in; 	mso-para-margin-bottom:.0001pt; 	=
mso-pagination:widow-orphan; 	font-size:10.0pt; 	=
font-family:"Times New Roman";} </style> <![endif]--><p =
class=3D"MsoNormal">Dear CCL, <br> <br> I am currently calculating the =
logP values using the atom contribution by Grosh and Crippen ( J. =
Computational Chemistry, 1988, 9, p.80-90). </p><div>&nbsp;<br =
class=3D"webkit-block-placeholder"></div><p class=3D"MsoNormal">I have =
done quite a lot of searching on calculating the oxidation state of =
carbon. However, I have trouble calculating the formal oxidation number =
of various hybridization carbons. <span style=3D"">&nbsp;</span>For =
example, for H attached to sp carbon, I cannot obtain the formal charge =
of 3 for sp carbon.<span style=3D"">&nbsp; </span></p><div>&nbsp;<br =
class=3D"webkit-block-placeholder"></div><p class=3D"MsoNormal">Is there =
any document that shows the calculation of oxidation number for sp =
carbon?<span style=3D"">&nbsp; </span></p><div>&nbsp;<br =
class=3D"webkit-block-placeholder"></div><p class=3D"MsoNormal">Thank =
you very much for your help,</p><div>&nbsp;<br =
class=3D"webkit-block-placeholder"></div><p class=3D"MsoNormal">Loan</p> =
<span style=3D"font-size: 12pt; font-family: &quot;Times New =
Roman&quot;;"></span><div =
class=3D"plainMail"><br></div></td></tr></tbody></table><br></blockquote><=
/div><br></div></body></html>=

--Apple-Mail-18--921523408--


From owner-chemistry@ccl.net Thu Dec 23 11:28:01 2010
From: "William F. Coleman wcoleman:wellesley.edu" <owner-chemistry,+,server.ccl.net>
To: CCL
Subject: CCL: Calculation absorption spectrum using Gaussian G03
Message-Id: <-43451-101223100247-5565-hWQPKle1wTZm+Ifyzu6lMA,+,server.ccl.net>
X-Original-From: "William F. Coleman" <wcoleman-,-wellesley.edu>
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Date: Thu, 23 Dec 2010 10:02:36 -0500
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Sent to CCL by: "William F. Coleman" [wcoleman_._wellesley.edu]
This is a multi-part message in MIME format.

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An isolated gold atom is actually s1(d10f14), so I would check to make
sure that the highest occupied orbital is predominately s in character,
and proceed from there.

Cheers,

Flick


_______________
William F. Coleman
Professor of Chemistry
Wellesley College 
Wellesley MA 02481

www.wellesley.edu/Chemistry/colemanw.html
http://www.flicksstuff.com/photos/pictures.html new galleries 9/4/2010

Editor, JCE WebWare and JCE Featured Molecules
http://www.jce.divched.org/JCEDLib/WebWare/
http://jchemed.chem.wisc.edu/JCEWWW/Features/MonthlyMolecules/index.html



----=_--22071c0a.22071b22.c939150c
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Content-Transfer-Encoding: quoted-printable

<?xml version=3D=221.0=22 encoding=3D=22UTF-8=22?>
<=21DOCTYPE HTML PUBLIC =22-//W3C//DTD HTML 4.0 Transitional//EN=22>
<html xmlns=3D=22http://www.w3.org/1999/xhtml=22>
<head>
<meta http-equiv=3D=22Content-Type=22 content=3D=22text/html; charset=3DUTF=
-8=22 />
<title></title>
<style type=3D=22text/css=22>
<=21--
body=7Bmargin-left:10px;margin-right:10px;margin-top:10px;margin-bottom:10p=
x;=7D
-->
</style>
</head>
<body marginleft=3D=2210=22 marginright=3D=2210=22 margintop=3D=2210=22 mar=
ginbottom=3D=2210=22>
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22>An isolated gold atom is actually s<s=
up>1</sup>(d<sup>10</sup>f<sup>14</sup>), so I would check to make sure tha=
t the highest occupied orbital is predominately s in character, and proceed=
 from there.</font></div>
<br />
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22>Cheers,</font></div>
<br />
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22>Flick</font></div>
<br />
<br />
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22>_______________</font></div>
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22>William F. Coleman</font></div>
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22>Professor of Chemistry</font></div>
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22>Wellesley College </font></div>
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22>Wellesley MA 02481</font></div>
<br />
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22><a href=3D=22http://www.wellesley.edu=
/Chemistry/colemanw.html=22 target=3D=22_blank=22>www.wellesley.edu/Chemist=
ry/colemanw.html</a></font></div>
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22><a href=3D=22http://www.flicksstuff.c=
om/photos/pictures.html=22 target=3D=22_blank=22>http://www.flicksstuff.com=
/photos/pictures.html</a> new galleries 9/4/2010</font></div>
<br />
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22>Editor, JCE WebWare and JCE Featured =
Molecules</font></div>
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22><a href=3D=22http://www.jce.divched.o=
rg/JCEDLib/WebWare/=22 target=3D=22_blank=22>http://www.jce.divched.org/JCE=
DLib/WebWare/</a></font></div>
<div align=3D=22left=22 style=3D=22text-align:left;=22><font face=3D=22Verd=
ana=22 size=3D=22+1=22 color=3D=22=230000DD=22 style=3D=22font-family:Verda=
na;font-size:14pt;color:=230000DD;=22><a href=3D=22http://jchemed.chem.wisc=
.edu/JCEWWW/Features/MonthlyMolecules/index.html=22 target=3D=22_blank=22>h=
ttp://jchemed.chem.wisc.edu/JCEWWW/Features/MonthlyMolecules/index.html</a>=
</font></div>
<br />
<br/>
</body>
</html>

----=_--22071c0a.22071b22.c939150c--


From owner-chemistry@ccl.net Thu Dec 23 15:36:00 2010
From: "Loan Huynh huynhkl2000 : yahoo.ca" <owner-chemistry**server.ccl.net>
To: CCL
Subject: CCL: calculation of logP using atom contribution
Message-Id: <-43452-101223120745-21624-SCGD2TGrDVTtUWtLMgZpKg**server.ccl.net>
X-Original-From: Loan Huynh <huynhkl2000##yahoo.ca>
Content-Type: multipart/alternative; boundary="0-1662746814-1293124058=:8922"
Date: Thu, 23 Dec 2010 09:07:38 -0800 (PST)
MIME-Version: 1.0


Sent to CCL by: Loan Huynh [huynhkl2000%%yahoo.ca]
--0-1662746814-1293124058=:8922
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=0A=0A=0A=0AHi Steve,=0A=0A=C2=A0=0A=0AThank you very much for your help. A=
s you suggest, I did try=0Ato calculate the oxidation number base on genera=
l rule (http://en.wikipedia.org/wiki/Oxidation_state).=0A=0A=0A=C2=A0=0A=0A=
However, when I apply general rule for calculating formal=0Acharge of carbo=
n, I can=E2=80=99t get the formal charge reported in Grosh and Crippen (=0A=
J. Computational Chemistry, 1988, 9, p.80-90) paper.=0A=0A=C2=A0=0A=0AAccor=
ding to Mannhold (J. Computer-Aided Molecular Design, 2001,=0A15, 337), Qui=
nidine has 1 H that attached to Csp3 with formal charge of 0. It=0Aseem lik=
e the general rule is not applicable to this case. =C2=A0=0A=0A=C2=A0=0A=0A=
Then I try another method for calculating formal oxidation number. Accordin=
g to Viswanadhan (J.=0AChem. Inf Comput. Sci. 1989, 29, 163), =E2=80=9Cthe =
formal oxidation number of a carbon=0Aatom =3D sum of formal bond orders wi=
th electronegative atoms=E2=80=9D, so H that=0Aattached to Csp3 with carbon=
 has formal charge of 3. However, Mannhold didn't report any functional gro=
up that have 1H attached to Csp3 with carbon has formal charge of 3.=20
=0A=0A=C2=A0=0A=0AAny other suggestion is greatly appreciate. =0A=0A=C2=A0=
=0A=0ALoan =0A=0A=C2=A0=0A=0A--- On Wed, 12/22/10, Stephen Bowlus chezbowlu=
s.:.comcast.net <owner-chemistry]_[ccl.net> wrote:

> From: Stephen Bowlus chezbowlus.:.comcast.net <owner-chemistry]_[ccl.net>
Subject: CCL: calculation of logP using atom contribution
To: "Huynh, Loan " <huynhkl2000]_[yahoo.ca>
Received: Wednesday, December 22, 2010, 7:56 PM

What seems to work is the usual rules, supplemented by the rule: bonds to t=
he same element don't count. In the usual formulation of the rules, this ad=
dition is a generalization of "elements have an oxidation state of 0" and i=
s why the "exception" of oxygen =3D -1 in peroxides works. =C2=A0The only p=
lace this is addressed, as far as I know, is in general chemistry texts. Th=
e expanded rule can be justified on the basis that the electrons in a bond =
between the same elements are shared equally.
One does get some wierdnesses depending on how the carbon is substituted, b=
ut the _change_ in oxidation states in the course of reaction seems reasona=
ble. So the concept is successful as a bookkeeping method. One has to remem=
ber that it is the change in most cases that is physically relevant; otherw=
ise, oxidation state is calculated on a completely non-physical basis.
There is actually a nice Wikipedia article "Oxidation State" that shows sit=
uations as carbon's oxidation state varies from +4 (carbon tetrachloride) t=
o -4 (methane). =C2=A0For an acetylene that you describe, I would calculate=
 the oxidation state as -1. =C2=A0C-1 of propyne would be -1, C-2 would be =
0 and C-3 would be -3. The four H's (a +1 each) make the molecule neutral.
Steve
On Dec 22, 2010, at 12:31 PM, Loan Huynh huynhkl2000 _ yahoo.ca wrote:
Dear CCL,=20
=20
 I am currently calculating the logP values using the atom contribution by =
Grosh and Crippen ( J. Computational Chemistry, 1988, 9, p.80-90). =C2=A0
I have done quite a lot of searching on calculating the oxidation state of =
carbon. However, I have trouble calculating the formal oxidation number of =
various hybridization carbons. =C2=A0For example, for H attached to sp carb=
on, I cannot obtain the formal charge of 3 for sp carbon.=C2=A0 =C2=A0
Is there any document that shows the calculation of oxidation number for sp=
 carbon?=C2=A0 =C2=A0
Thank you very much for your help,=C2=A0
Loan=20


=0A=0A
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<table cellspacing=3D"0" cellpadding=3D"0" border=3D"0" ><tr><td valign=3D"=
top" style=3D"font: inherit;"><!--[if gte mso 9]><xml>=0A <w:WordDocument>=
=0A  <w:View>Normal</w:View>=0A  <w:Zoom>0</w:Zoom>=0A  <w:Compatibility>=
=0A   <w:BreakWrappedTables/>=0A   <w:SnapToGridInCell/>=0A   <w:WrapTextWi=
thPunct/>=0A   <w:UseAsianBreakRules/>=0A   <w:UseFELayout/>=0A  </w:Compat=
ibility>=0A  <w:BrowserLevel>MicrosoftInternetExplorer4</w:BrowserLevel>=0A=
 </w:WordDocument>=0A</xml><![endif]--><!--[if gte mso 10]>=0A<style>=0A /*=
 Style Definitions */=0A table.MsoNormalTable=0A=09{mso-style-name:"Table N=
ormal";=0A=09mso-tstyle-rowband-size:0;=0A=09mso-tstyle-colband-size:0;=0A=
=09mso-style-noshow:yes;=0A=09mso-style-parent:"";=0A=09mso-padding-alt:0in=
 5.4pt 0in 5.4pt;=0A=09mso-para-margin:0in;=0A=09mso-para-margin-bottom:.00=
01pt;=0A=09mso-pagination:widow-orphan;=0A=09font-size:10.0pt;=0A=09font-fa=
mily:"Times New Roman";}=0A</style>=0A<![endif]-->=0A=0A=0A=0A<p class=3D"M=
soNormal">Hi Steve,</p>=0A=0A<p class=3D"MsoNormal">&nbsp;</p>=0A=0A<p clas=
s=3D"MsoNormal">Thank you very much for your help. As you suggest, I did tr=
y=0Ato calculate the oxidation number base on general rule (<a href=3D"http=
://en.wikipedia.org/wiki/Oxidation_state">http://en.wikipedia.org/wiki/Oxid=
ation_state</a>).=0A</p>=0A=0A<p class=3D"MsoNormal">&nbsp;</p>=0A=0A<p cla=
ss=3D"MsoNormal">However, when I apply general rule for calculating formal=
=0Acharge of carbon, I can=E2=80=99t get the formal charge reported in Gros=
h and Crippen (=0AJ. Computational Chemistry, 1988, 9, p.80-90) paper.</p>=
=0A=0A<p class=3D"MsoNormal">&nbsp;</p>=0A=0A<p class=3D"MsoNormal">Accordi=
ng to Mannhold (J. Computer-Aided Molecular Design, 2001,=0A15, 337), Quini=
dine has 1 H that attached to Csp3 with formal charge of 0. It=0Aseem like =
the general rule is not applicable to this case. <span style=3D"">&nbsp;</s=
pan></p>=0A=0A<p class=3D"MsoNormal">&nbsp;</p>=0A=0A<p class=3D"MsoNormal"=
>Then I try another method for calculating formal oxidation number. Accordi=
ng to Viswanadhan (J.=0AChem. Inf Comput. Sci. 1989, 29, 163), =E2=80=9Cthe=
 formal oxidation number of a carbon=0Aatom =3D sum of formal bond orders w=
ith electronegative atoms=E2=80=9D, so H that=0Aattached to Csp3 with carbo=
n has formal charge of 3. However, Mannhold didn't report any functional gr=
oup that have 1H attached to Csp3 with carbon has formal charge of 3. <br><=
/p>=0A=0A<p class=3D"MsoNormal">&nbsp;</p>=0A=0A<p class=3D"MsoNormal">Any =
other suggestion is greatly appreciate. </p>=0A=0A<p class=3D"MsoNormal">&n=
bsp;</p>=0A=0A<p class=3D"MsoNormal">Loan </p>=0A=0A<p class=3D"MsoNormal">=
&nbsp;</p>=0A=0A--- On <b>Wed, 12/22/10, Stephen Bowlus chezbowlus.:.comcas=
t.net <i>&lt;owner-chemistry]_[ccl.net&gt;</i></b> wrote:<br><blockquote styl=
e=3D"border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-lef=
t: 5px;"><br>From: Stephen Bowlus chezbowlus.:.comcast.net &lt;owner-chemis=
try]_[ccl.net&gt;<br>Subject: CCL: calculation of logP using atom contributio=
n<br>To: "Huynh, Loan " &lt;huynhkl2000]_[yahoo.ca&gt;<br>Received: We=
dnesday, December 22, 2010, 7:56 PM<br><br><div id=3D"yiv863776987">What se=
ems to work is the usual rules, supplemented by the rule: bonds to the same=
 element don't count. In the usual formulation of the rules, this addition =
is a generalization of "elements have an oxidation state of 0" and is why t=
he "exception" of oxygen =3D -1 in peroxides works. &nbsp;The only place th=
is is addressed, as far as I know, is in general chemistry texts. The expan=
ded rule can be justified on the basis that the electrons in a bond between=
 the same
 elements are shared equally.<div><br></div><div>One does get some wierdnes=
ses depending on how the carbon is substituted, but the _change_ in oxidati=
on states in the course of reaction seems reasonable. So the concept is suc=
cessful as a bookkeeping method. One has to remember that it is the change =
in most cases that is physically relevant; otherwise, oxidation state is ca=
lculated on a completely non-physical basis.</div><div><br></div><div>There=
 is actually a nice Wikipedia article "Oxidation State" that shows situatio=
ns as carbon's oxidation state varies from +4 (carbon tetrachloride) to -4 =
(methane). &nbsp;For an acetylene that you describe, I would calculate the =
oxidation state as -1. &nbsp;C-1 of propyne would be -1, C-2 would be 0 and=
 C-3 would be -3. The four H's (a +1 each) make the molecule neutral.</div>=
<div><br></div><div>Steve</div><div><br><div><div>On Dec 22, 2010, at 12:31=
 PM, Loan Huynh huynhkl2000 _ yahoo.ca wrote:</div><br
 class=3D"yiv863776987Apple-interchange-newline"><blockquote type=3D"cite">=
<table border=3D"0" cellpadding=3D"0" cellspacing=3D"0"><tbody><tr><td styl=
e=3D"font: inherit;" valign=3D"top"><p class=3D"yiv863776987MsoNormal">Dear=
 CCL, <br> <br> I am currently calculating the logP values using the atom c=
ontribution by Grosh and Crippen ( J. Computational Chemistry, 1988, 9, p.8=
0-90). </p><div>&nbsp;<br class=3D"yiv863776987webkit-block-placeholder"></=
div><p class=3D"yiv863776987MsoNormal">I have done quite a lot of searching=
 on calculating the oxidation state of carbon. However, I have trouble calc=
ulating the formal oxidation number of various hybridization carbons. <span=
 style=3D"">&nbsp;</span>For example, for H attached to sp carbon, I cannot=
 obtain the formal charge of 3 for sp carbon.<span style=3D"">&nbsp; </span=
></p><div>&nbsp;<br class=3D"yiv863776987webkit-block-placeholder"></div><p=
 class=3D"yiv863776987MsoNormal">Is there any document that shows the calcu=
lation of oxidation
 number for sp carbon?<span style=3D"">&nbsp; </span></p><div>&nbsp;<br cla=
ss=3D"yiv863776987webkit-block-placeholder"></div><p class=3D"yiv863776987M=
soNormal">Thank you very much for your help,</p><div>&nbsp;<br class=3D"yiv=
863776987webkit-block-placeholder"></div><p class=3D"yiv863776987MsoNormal"=
>Loan</p> <span style=3D"font-size: 12pt;"></span><div class=3D"yiv86377698=
7plainMail"><br></div></td></tr></tbody></table><br></blockquote></div><br>=
</div></div></blockquote></td></tr></table><br>
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