From owner-chemistry@ccl.net Fri Apr 8 19:59:01 2011 From: "Haibin Scopus lihb734:+:yahoo.com" To: CCL Subject: CCL: DFT Software Message-Id: <-44327-110408195755-12851-DcLZ7yM/kzDFN/rwjvF1hw[A]server.ccl.net> X-Original-From: Haibin Scopus Content-Type: multipart/alternative; boundary="0-1763083252-1302307062=:3664" Date: Fri, 8 Apr 2011 16:57:42 -0700 (PDT) MIME-Version: 1.0 Sent to CCL by: Haibin Scopus [lihb734.:.yahoo.com] --0-1763083252-1302307062=:3664 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable Dear Martinez, =A0=A0 You can try ORCA=A0 http://www.thch.uni-bonn.de/tc/orca/=A0, an exce= llent free software. In my opinion, the elaborate manual is extremely suita= ble for green hand. Orca also has Windows version in addition to binary lin= ux version which help you be familiiar with it as soon as possible. =A0 Good Luck! =A0 Haibin Li =A0 Haibin Li Institute of Functional Material Chemistry, Faculty of Chemistry Northeast Normal University=20 changchun, Jilin, 130024 PR CHINA E-mail: lihb734]*[nenu.edu.cn; lihb734]*[yahoo.com http://www.nenu.edu.cn --- On Fri, 4/8/11, Wojciech Kolodziejczyk dziecial*icnanotox.org wrote: > From: Wojciech Kolodziejczyk dziecial*icnanotox.org Subject: CCL: DFT Software To: "Li, Hai-Bin " Date: Friday, April 8, 2011, 8:46 PM Sent to CCL by: Wojciech Kolodziejczyk [dziecial_._icnanotox.org] gamess. It's for free 2011/4/8 Raphael Martinez raphaelmartinez1983%gmail.com : > > Sent to CCL by: "Raphael =A0Martinez" [raphaelmartinez1983/./gmail.com] > What software could be inexpensive (or free better) that could run DFT ca= lculations to small organic molecules?. A software that can give decent res= ults and allow to include the results in a publication. Thanks a lot for th= e help.> =A0 =A0 =A0http://www.ccl.net/cgi-bin/ccl/send_ccl_message> =A0 = =A0 =A0http://www.ccl.net/cgi-bin/ccl/send_ccl_message> =A0 =A0 =A0http://w= ww.ccl.net/chemistry/sub_unsub.shtml> =A0 =A0 =A0http://www.ccl.net/spammer= s.txt> > > -=3D This is automatically added to each message by the mailing script =3D-=A0 =A0 =A0=A0 =A0 =A0Subscribe/Unsubscribe:=20 =A0 =A0 =A0Job: http://www.ccl.net/jobs=20=A0 =A0 =A0=0A=0A=0A --0-1763083252-1302307062=:3664 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable
Dear Martinez,
   You can try ORCA  http://www.thch.uni-bonn.de/tc/orca/ , an excellent= free software. In my opinion, the elaborate manual is extremely suitable f= or green hand. Orca also has Windows version in addition to binary linux ve= rsion which help you be familiiar with it as soon as possible.
  Good Luck!
  Haibin Li

 
Haibin Li
Institute of Functional Material Chemistry, Faculty of Chemistry
Northeast Normal University
changchun, Jilin, 130024 PR = CHINA

E-mail: lihb734]*[nenu.edu.cn; lihb734]*[yahoo.com
http://www.n= enu.edu.cn


--- On Fri, 4/8/11, Wojciech Kolodziejczyk dziec= ial*icnanotox.org <owner-chemistry]*[ccl.net> wrote:

From: Wojciech Kolodziejczyk dziecial*icnanotox.o= rg <owner-chemistry]*[ccl.net>
Subject: CCL: DFT Software
To: "Li= , Hai-Bin " <lihb734]*[yahoo.com>
Date: Friday, April 8, 201= 1, 8:46 PM


Sent to CCL by: Wojciech Kolodziejczyk [dziecial= _._icnanotox.org]
gamess. It's for free

2011/4/8 Raphael Martinez= raphaelmartinez1983%gmail.com
<owner-chemistry#%#ccl.net>:
>= ;
> Sent to CCL by: "Raphael  Martinez" [raphaelmartinez1983/./g= mail.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. Tha= nks a lot for the help.>      http://www.ccl.net/cgi-bin= /ccl/send_ccl_message>      http://www.ccl.net/cgi-b= in/ccl/send_ccl_message>      http://www.ccl.net/chemistry/sub_unsub.shtml>  = ;    =>
>
>



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