From owner-chemistry@ccl.net Tue Jan 27 04:07:00 2009
From: "surya soumya_samineni#%#rediffmail.com" <owner-chemistry---server.ccl.net>
To: CCL
Subject: CCL: difference between naotubes and nanowire
Message-Id: <-38516-090127022856-31481-QlbAE0VdIWvL1uzbkJXZog---server.ccl.net>
X-Original-From: "surya " <soumya_samineni{:}rediffmail.com>
Content-type: multipart/alternative;
	boundary="Next_1233037705---0-202.137.234.119-32028"
Date: 27 Jan 2009 06:28:25 -0000
MIME-Version: 1.0


Sent to CCL by: "surya " [soumya_samineni : rediffmail.com]
 This is a multipart mime message


--Next_1233037705---0-202.137.234.119-32028
Content-type: text/plain;
	charset=iso-8859-1
Content-Transfer-Encoding: quoted-printable
Content-Disposition: inline

Hi=0A=0Awhat essentially is the difference between nanotube and a nano wire=
 ..?=0A=0AIs it that nanotube is hollow with a particular dia =0Aand wire h=
as atoms in the core also ...?=0A=0Athanks in advance=0Asoumya=0A=0A=0Awith=
 best wishes=0D=0Asoumya=0D=0A
--Next_1233037705---0-202.137.234.119-32028
Content-type: text/html;
	charset=iso-8859-1
Content-Transfer-Encoding: quoted-printable
Content-Disposition: inline

<P>=0AHi<BR>=0A<BR>=0Awhat essentially is the difference between nanotube a=
nd a nano wire ..?<BR>=0A<BR>=0AIs it that nanotube is hollow with a partic=
ular dia <BR>=0Aand wire has atoms in the core also ...?<BR>=0A<BR>=0Athank=
s in advance<BR>=0Asoumya<BR>=0A=0A</P>=0A=0A=0Awith best&nbsp;wishes=0D<br=
>=0Asoumya=0D<br>=0A<br><br>=0A<Table border=3D0 Width=3D644 Height=3D57 ce=
llspacing=3D0 cellpadding=3D0 style=3D'font-family:Verdana;font-size:11px;l=
ine-height:15px;'><TR><td><a href=3D'http://adworks.rediff.com/cgi-bin/AdWo=
rks/click.cgi/www.rediff.com/signature-home.htm/1050715198.:.Middle5/2652905_=
2645144/2648371/1?PARTNER=3D3&OAS_QUERY=3Dnull' target=3Dnew ><img src =3D'=
http://imadworks.rediff.com/cgi-bin/AdWorks/adimage.cgi/2652905_2645144/cre=
ative_2648371.jpg'  alt=3D'Ishare'  border=3D0></a></td></TR></Table>
--Next_1233037705---0-202.137.234.119-32028--


From owner-chemistry@ccl.net Tue Jan 27 04:41:00 2009
From: "Tristan Youngs t.youngs:_:qub.ac.uk" <owner-chemistry||server.ccl.net>
To: CCL
Subject: CCL: Nanowires and nanotubes
Message-Id: <-38517-090127041514-11111-wYvFjSzW+By7szwHaIgRWg||server.ccl.net>
X-Original-From: Tristan Youngs <t.youngs ~~ qub.ac.uk>
Content-Transfer-Encoding: 7bit
Content-Type: text/plain; charset=ISO-8859-1
Date: Tue, 27 Jan 2009 08:38:08 +0000
MIME-Version: 1.0


Sent to CCL by: Tristan Youngs [t.youngs . qub.ac.uk]
Aten (www.projectaten.net) comes with an example script that generates
carbon nanotubes of some provided radius and length (measured in benzene
sub-units). Modifying them to silicon nanotubes is a trivial job.

Cheers,
Tris.

soumya samineni soumya_samineni_._rediffmail.com wrote:
> Sent to CCL by: "soumya  samineni" [soumya_samineni,rediffmail.com]
> Dear CCL mates
>
> Can some one let me know how can i generate the coordinates of different nanotubes and nano wires of different materials
>
> eg. different types of Si nanotubes/nano wires. 
>     
> thanks in advance
> soumya>
>
>   

-- 
Dr. T. Youngs  (t.youngs|*|qub.ac.uk)
Atomistic Simulation Centre
Old Physics Building
Queen's University Belfast
Belfast, BT7 1NN, N.I.


From owner-chemistry@ccl.net Tue Jan 27 05:17:01 2009
From: "Mohan mocqccpct^^gmail.com" <owner-chemistry^-^server.ccl.net>
To: CCL
Subject: CCL: Nanowires and nanotubes
Message-Id: <-38518-090127040626-7401-R3zHl4Aet/WSrAt37V9ZcA^-^server.ccl.net>
X-Original-From: Mohan <mocqccpct%gmail.com>
Content-Type: multipart/alternative; boundary=000e0cd348ac22beeb0461731343
Date: Tue, 27 Jan 2009 08:59:36 +0000
MIME-Version: 1.0


Sent to CCL by: Mohan [mocqccpct(~)gmail.com]
--000e0cd348ac22beeb0461731343
Content-Type: text/plain; charset=ISO-8859-1
Content-Transfer-Encoding: 7bit

TubeGen Online: http://turin.nss.udel.edu/research/tubegenonline.html

JNano: http://jcrystal.com/steffenweber/JAVA/jnano/jnano.html

TubeGen is web-based and absolutely free(including the source code :-) ) and
JNano has a free version with restricted functions.

--MPj

Mohan P J
PhD Student
WestCHEM
Department of Chemistry
University of Glasgow
Glasgow, United Kingdom


On Tue, Jan 27, 2009 at 4:31 AM, soumya samineni soumya_samineni_._
rediffmail.com <owner-chemistry * ccl.net> wrote:

>
> Sent to CCL by: "soumya  samineni" [soumya_samineni,rediffmail.com]
> Dear CCL mates
>
> Can some one let me know how can i generate the coordinates of different
> nanotubes and nano wires of different materials
>
> eg. different types of Si nanotubes/nano wires.
>
> thanks in advance
> soumya>
>
>

--000e0cd348ac22beeb0461731343
Content-Type: text/html; charset=ISO-8859-1
Content-Transfer-Encoding: quoted-printable

TubeGen Online: <a href=3D"http://turin.nss.udel.edu/research/tubegenonline=
.html">http://turin.nss.udel.edu/research/tubegenonline.html</a><br clear=
=3D"all"><br>JNano: <a href=3D"http://jcrystal.com/steffenweber/JAVA/jnano/=
jnano.html">http://jcrystal.com/steffenweber/JAVA/jnano/jnano.html</a><br>
<br>TubeGen is web-based and absolutely free(including the source code :-) =
) and JNano has a free version with restricted functions.<br><br>--MPj<br><=
br>Mohan P J<br>PhD Student<br>WestCHEM<br>Department of Chemistry<br>Unive=
rsity of Glasgow<br>
Glasgow, United Kingdom<br>
<br><br><div class=3D"gmail_quote">On Tue, Jan 27, 2009 at 4:31 AM, soumya =
samineni soumya_samineni_._<a href=3D"http://rediffmail.com">rediffmail.com=
</a> <span dir=3D"ltr">&lt;<a href=3D"mailto:owner-chemistry * ccl.net">owner=
-chemistry * ccl.net</a>&gt;</span> wrote:<br>
<blockquote class=3D"gmail_quote" style=3D"border-left: 1px solid rgb(204, =
204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><br>
Sent to CCL by: &quot;soumya &nbsp;samineni&quot; [soumya_samineni,<a href=
=3D"http://rediffmail.com" target=3D"_blank">rediffmail.com</a>]<br>
Dear CCL mates<br>
<br>
Can some one let me know how can i generate the coordinates of different na=
notubes and nano wires of different materials<br>
<br>
eg. different types of Si nanotubes/nano wires.<br>
<br>
thanks in advance<br>
soumya<br>
<br>
<br>
<br>
-=3D This is automatically added to each message by the mailing script =3D-=
<br<br=<br<br>
<br>
E-mail to subscribers: <a href=3D"mailto:CHEMISTRY * ccl.net">CHEMISTRY * ccl.n=
et</a> or use:<br>
 &nbsp; &nbsp; &nbsp;<a href=3D"http://www.ccl.net/cgi-bin/ccl/send_ccl_mes=
sage" target=3D"_blank">http://www.ccl.net/cgi-bin/ccl/send_ccl_message</a>=
<br>
<br>
E-mail to administrators: <a href=3D"mailto:CHEMISTRY-REQUEST * ccl.net">CHEM=
ISTRY-REQUEST * ccl.net</a> or use<br>
 &nbsp; &nbsp; &nbsp;<a href=3D"http://www.ccl.net/cgi-bin/ccl/send_ccl_mes=
sage" target=3D"_blank">http://www.ccl.net/cgi-bin/ccl/send_ccl_message</a>=
<br>
<br>
Subscribe/Unsubscribe:<br>
 &nbsp; &nbsp; &nbsp;<a href=3D"http://www.ccl.net/chemistry/sub_unsub.shtm=
l" target=3D"_blank">http://www.ccl.net/chemistry/sub_unsub.shtml</a><br>
<br>
Before posting, check wait time at: <a href=3D"http://www.ccl.net" target=
=3D"_blank">http://www.ccl.net</a><br>
<br>
Job: <a href=3D"http://www.ccl.net/jobs" target=3D"_blank">http://www.ccl.n=
et/jobs</a><br>
Conferences: <a href=3D"http://server.ccl.net/chemistry/announcements/confe=
rences/" target=3D"_blank">http://server.ccl.net/chemistry/announcements/co=
nferences/</a><br>
<br>
Search Messages: <a href=3D"http://www.ccl.net/htdig" target=3D"_blank">htt=
p://www.ccl.net/htdig</a> &nbsp;(login: ccl, Password: search)<br>
<br<br>
 &nbsp; &nbsp; &nbsp;<a href=3D"http://www.ccl.net/spammers.txt" target=3D"=
_blank">http://www.ccl.net/spammers.txt</a><br>
<br>
RTFI: <a href=3D"http://www.ccl.net/chemistry/aboutccl/instructions/" targe=
t=3D"_blank">http://www.ccl.net/chemistry/aboutccl/instructions/</a><br>
<br>
<br>
</blockquote></div><br>

--000e0cd348ac22beeb0461731343--


From owner-chemistry@ccl.net Tue Jan 27 06:55:01 2009
From: "Anders Blom anders.blom-*-quantumwise.com" <owner-chemistry * server.ccl.net>
To: CCL
Subject: CCL: difference between naotubes and nanowire
Message-Id: <-38519-090127064212-13161-NH8x1V7EVdyEWGFmzTqLiw * server.ccl.net>
X-Original-From: Anders Blom <anders.blom..quantumwise.com>
Content-Type: multipart/alternative;
 boundary="------------070207000001070200030007"
Date: Tue, 27 Jan 2009 11:41:59 +0100
MIME-Version: 1.0


Sent to CCL by: Anders Blom [anders.blom::quantumwise.com]
This is a multi-part message in MIME format.
--------------070207000001070200030007
Content-Type: text/plain; charset=ISO-8859-1
Content-Transfer-Encoding: 7bit

A nanotube is, by common standard nomenclature, a rolled up sheet of a
hexagonal lattice, like graphene/graphite for carbon,  so yes it's
hollow, but importantly also has the hexagonal structure built-in.

A nanowire is more "solid". A nanowire is typically made from a bulk
material which is cleaved first along the growth direction and then
along a variety of other facets to form the wire shape.

Anders


surya soumya_samineni#%#rediffmail.com wrote:
>
> Hi
>
> what essentially is the difference between nanotube and a nano wire ..?
>
> Is it that nanotube is hollow with a particular dia
> and wire has atoms in the core also ...?
>
> thanks in advance
> soumya
>
> with best wishes
> soumya
>
>
> Ishare
> <http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-home.htm/1050715198%7CMiddle5/2652905_2645144/2648371/1?PARTNER=3&OAS_QUERY=null>
>
>

-- 
--------------------------------------------------
Anders Blom, Ph.D.
QuantumWise A/S



--------------070207000001070200030007
Content-Type: text/html; charset=ISO-8859-1
Content-Transfer-Encoding: 7bit

<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head>
  <meta content="text/html;charset=ISO-8859-1" http-equiv="Content-Type">
</head>
<body bgcolor="#ffffff" text="#000000">
A nanotube is, by common standard nomenclature, a rolled up sheet of a
hexagonal lattice, like graphene/graphite for carbon,&nbsp; so yes it's
hollow, but importantly also has the hexagonal structure built-in.<br>
<br>
A nanowire is more "solid". A nanowire is typically made from a bulk
material which is cleaved first along the growth direction and then
along a variety of other facets to form the wire shape.<br>
<br>
Anders<br>
<br>
<br>
surya soumya_samineni#%#rediffmail.com wrote:
<blockquote
 cite="mid:-id%234q7-38516-090127022856-31481-qcTRyV9aWdtARmiAirWA+A|,|server.ccl.net"
 type="cite">
  <p>Hi<br>
  <br>
what essentially is the difference between nanotube and a nano wire ..?<br>
  <br>
Is it that nanotube is hollow with a particular dia <br>
and wire has atoms in the core also ...?<br>
  <br>
thanks in advance<br>
soumya<br>
  </p>
with best&nbsp;wishes
  <br>
soumya
  <br>
  <br>
  <br>
  <table
 style="font-family: Verdana; font-size: 11px; line-height: 15px;"
 border="0" cellpadding="0" cellspacing="0" height="57" width="644">
    <tbody>
      <tr>
        <td><a moz-do-not-send="true"
 href="http://adworks.rediff.com/cgi-bin/AdWorks/click.cgi/www.rediff.com/signature-home.htm/1050715198%7CMiddle5/2652905_2645144/2648371/1?PARTNER=3&amp;OAS_QUERY=null"
 target="new"><img moz-do-not-send="true"
 src="http://imadworks.rediff.com/cgi-bin/AdWorks/adimage.cgi/2652905_2645144/creative_2648371.jpg"
 alt="Ishare" border="0"></a></td>
      </tr>
    </tbody>
  </table>
</blockquote>
<br>
<pre class="moz-signature" cols="72">-- 
--------------------------------------------------
Anders Blom, Ph.D.
QuantumWise A/S

</pre>
</body>
</html>

--------------070207000001070200030007--


From owner-chemistry@ccl.net Tue Jan 27 14:04:01 2009
From: "Andreas Klamt klamt(-)cosmologic.de" <owner-chemistry|,|server.ccl.net>
To: CCL
Subject: CCL: COSMO-RS Symposium 2009: Program now available online
Message-Id: <-38520-090127121317-3128-iteWKhnQ3qjk9Zx+xUtycw|,|server.ccl.net>
X-Original-From: Andreas Klamt <klamt . cosmologic.de>
Content-Transfer-Encoding: 7bit
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
Date: Tue, 27 Jan 2009 17:34:31 +0100
MIME-Version: 1.0


Sent to CCL by: Andreas Klamt [klamt=cosmologic.de]
Dear CCLers,

the scientific program for our COSMO-RS symposium on the occasion of 
COSMOlogic's 10 birthday is completed and available online:
http://www.cosmologic.de/Symposium/symposium.html

As you can see from the program, the symposium will give an excellent 
overview of the broad application range of the COSMO-RS method in 
industry and academia, and it will demonstrate that COSMO-RS is 
solvation thermodynamics, i.e. much more than just a dielectric 
continuum solvation model.

I would be happy to welcome the one or other of you at our symposium.
(Not all of you ;-) , since we have only about 20 seats left.)

Best regards

Andreas



-- 
--------------------------------------------------------------------------
Dr. habil. Andreas Klamt
COSMOlogic GmbH&CoKG
Burscheider Str. 515
51381 Leverkusen, Germany

Tel.: +49-2171-73168-1  Fax:  +49-2171-73168-9
e-mail: klamt|-|cosmologic.de
web:    www.cosmologic.de
--------------------------------------------------------------------------
COSMOlogic
       Your Competent Partner for
       Computational Chemistry and Fluid Thermodynamics
--------------------------------------------------------------------------
Please note our COSMO-RS Symposium in 2009 
(For details see: http://www.cosmologic.de/Symposium/symposium.html)


From owner-chemistry@ccl.net Tue Jan 27 16:38:00 2009
From: "liu junjun ljjlp03=-=gmail.com" <owner-chemistry__server.ccl.net>
To: CCL
Subject: CCL: looking for 3D qsar program free.
Message-Id: <-38521-090127162305-24504-SvwO3v9EYYlNm2dkATHRnw__server.ccl.net>
X-Original-From: liu junjun <ljjlp03:_:gmail.com>
Content-Transfer-Encoding: 7bit
Content-Type: text/plain; charset=ISO-8859-1
Date: Tue, 27 Jan 2009 16:22:53 -0500
MIME-Version: 1.0


Sent to CCL by: liu junjun [ljjlp03-*-gmail.com]
Hi everybody,

I am looking for a free "3D qsar"  program (Comfa...). Please let me
know if someone have a list or know some.
Thanks.


From owner-chemistry@ccl.net Tue Jan 27 21:49:01 2009
From: "chezbowlus]![comcast.net" <owner-chemistry{:}server.ccl.net>
To: CCL
Subject: CCL: Computational mutagenesis
Message-Id: <-38522-090127200431-13924-Wq2ydAW3/OJcJb8tgRlkLA{:}server.ccl.net>
X-Original-From: chezbowlus()comcast.net
Date: Wed, 28 Jan 2009 00:31:38 +0000


Sent to CCL by: chezbowlus^-^comcast.net
The DeepView structure viewer does single site mutations and sidechain scans.  It is free from  

http://spdbv.vital-it.ch/

The structures generated would need to be minimized in another package (TINKER is a free one)

Cheers,
Steve