From owner-chemistry #at# ccl.net Fri Apr  8 21:27:01 2011
From: "Rodrigo Bogossian rodrigobogossian#,#gmail.com" <owner-chemistry=server.ccl.net>
To: CCL
Subject: CCL: DFT Software
Message-Id: <-44329-110408164113-5146-cKobmiCCY5LrWMnaphiI3g=server.ccl.net>
X-Original-From: Rodrigo Bogossian <rodrigobogossian]*[gmail.com>
Content-Type: multipart/alternative; boundary=00032557639230d6ef04a06e3d64
Date: Fri, 8 Apr 2011 16:40:40 -0400
MIME-Version: 1.0


Sent to CCL by: Rodrigo Bogossian [rodrigobogossian||gmail.com]
--00032557639230d6ef04a06e3d64
Content-Type: text/plain; charset=ISO-8859-1

   Hi Raphael Martinez,
The MPQC (www.mpqc.org) has the DFT method and their results are very good
even for big molecules.

Best Regards,
Rodrigo Bogossian

2011/4/8 Raphael Martinez raphaelmartinez1983%gmail.com <
owner-chemistry+/-ccl.net>

>
> Sent to CCL by: "Raphael  Martinez" [raphaelmartinez1983/./gmail.com]
> What software could be inexpensive (or free better) that could run DFT
> calculations to small organic molecules?. A software that can give decent
> results and allow to include the results in a publication. Thanks a lot for
> the help.>
>
>

--00032557639230d6ef04a06e3d64
Content-Type: text/html; charset=ISO-8859-1
Content-Transfer-Encoding: quoted-printable

=A0=A0 Hi Raphael Martinez,<br>The MPQC (<a href=3D"http://www.mpqc.org">ww=
w.mpqc.org</a>) has the DFT method and their results are very good even for=
 big molecules.<br><br>Best Regards,<br>Rodrigo Bogossian<br><br><div class=
=3D"gmail_quote">
2011/4/8 Raphael Martinez raphaelmartinez1983%<a href=3D"http://gmail.com">=
gmail.com</a> <span dir=3D"ltr">&lt;<a href=3D"mailto:owner-chemistry+/-ccl.n=
et">owner-chemistry+/-ccl.net</a>&gt;</span><br><blockquote class=3D"gmail_qu=
ote" style=3D"margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 20=
4, 204); padding-left: 1ex;">
<br>
Sent to CCL by: &quot;Raphael =A0Martinez&quot; [raphaelmartinez1983/./<a h=
ref=3D"http://gmail.com" target=3D"_blank">gmail.com</a>]<br>
What software could be inexpensive (or free better) that could run DFT calc=
ulations to small organic molecules?. A software that can give decent resul=
ts and allow to include the results in a publication. Thanks a lot for the =
help.<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>
 =A0 =A0 =A0<a href=3D"http://www.ccl.net/cgi-bin/ccl/send_ccl_message" tar=
get=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>
 =A0 =A0 =A0<a href=3D"http://www.ccl.net/cgi-bin/ccl/send_ccl_message" tar=
get=3D"_blank">http://www.ccl.net/cgi-bin/ccl/send_ccl_message</a><br>
<br>
Subscribe/Unsubscribe:<br>
 =A0 =A0 =A0<a href=3D"http://www.ccl.net/chemistry/sub_unsub.shtml" 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/chemistry/searchccl/index.sh=
tml" target=3D"_blank">http://www.ccl.net/chemistry/searchccl/index.shtml</=
a><br>
<br<br>
 =A0 =A0 =A0<a href=3D"http://www.ccl.net/spammers.txt" target=3D"_blank">h=
ttp://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>

--00032557639230d6ef04a06e3d64--