From owner-chemistry@ccl.net Sun Apr 23 01:19:01 2006 From: "Green Power powergreen%gmail.com" To: CCL Subject: CCL: visualization of NICS calculation Message-Id: <-31580-060419225216-2700-0/zvI31llJ7P3B287VHDUA.:.server.ccl.net> X-Original-From: "Green Power" Content-Type: multipart/alternative; boundary="----=_Part_15597_28364304.1145497731995" Date: Wed, 19 Apr 2006 21:48:51 -0400 MIME-Version: 1.0 Sent to CCL by: "Green Power" [powergreen]*[gmail.com] ------=_Part_15597_28364304.1145497731995 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline Hi, Anybody knows how to visualize NICS calculation. What kind of program shoul= d I use? PW ------=_Part_15597_28364304.1145497731995 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline
Hi,
 
Anybody knows how to visualize NICS calculation. What kind of program = should I use?
 
PW
------=_Part_15597_28364304.1145497731995-- From owner-chemistry@ccl.net Sun Apr 23 11:16:04 2006 From: "Shenggang Li shenggangli(!)gmail.com" To: CCL Subject: CCL: visualization of NICS calculation Message-Id: <-31581-060423111433-8656-1dsOW4BgeyDb/slBg8DKHA],[server.ccl.net> X-Original-From: "Shenggang Li" Content-Type: multipart/alternative; boundary="----=_Part_13060_14365124.1145805263486" Date: Sun, 23 Apr 2006 10:14:23 -0500 MIME-Version: 1.0 Sent to CCL by: "Shenggang Li" [shenggangli/a\gmail.com] ------=_Part_13060_14365124.1145805263486 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline Would you mind to tell me how to do NICS calculations? Thanks! On 4/23/06, Green Power powergreen%gmail.com wrote: > > Sent to CCL by: "Green Power" [powergreen]*[gmail.com] > > > ------=3D_Part_15597_28364304.1145497731995 > Content-Type: text/plain; charset=3DISO-8859-1 > Content-Transfer-Encoding: quoted-printable > Content-Disposition: inline > > Hi, > > Anybody knows how to visualize NICS calculation. What kind of program > shoul=3D > d > I use? > > PW > > ------=3D_Part_15597_28364304.1145497731995 > Content-Type: text/html; charset=3DISO-8859-1 > Content-Transfer-Encoding: quoted-printable > Content-Disposition: inline > >
Hi,
>
 
>
Anybody knows how to visualize NICS calculation. What kind of progra= m > =3D > should I use?
>
 
>
PW
> > ------=3D_Part_15597_28364304.1145497731995-- > > > > -=3D This is automatically added to each message by the mailing script = =3D-> > > > -- Shenggang Li Shelby Hall L103A Department of Chemistry University of Alabama Tuscaloosa, AL 35487-0336 Office: 205-348-4906 ------=_Part_13060_14365124.1145805263486 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline Would you mind to tell me how to do NICS calculations?  Thanks!
On 4/23/06, = Green Power powergreen%gmail.com <owner-chemistry---ccl.net> wrote:
Sent to CCL by: "Green Powe= r" [powergreen]*[gmail.com]

------=3D_Part_15597_28364304.1145497731995
Content-Type: text/plain; ch= arset=3DISO-8859-1
Content-Transfer-Encoding: quoted-printable
Conten= t-Disposition: inline

Hi,

Anybody knows how to visualize NICS= calculation. What kind of program shoul=3D
d
I use?

PW

------=3D_Part_15597_28364304.114549773199= 5
Content-Type: text/html; charset=3DISO-8859-1
Content-Transfer-Enco= ding: quoted-printable
Content-Disposition: inline

<div>Hi,= </div>
<div>&nbsp;</div>
<div>Anybody knows how to vi= sualize NICS calculation. What kind of program =3D
should I use?</div= >
<div>&nbsp;</div>
<div>PW</div>

------=3D_Part_15597_28364304.1145497731995--



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--
Shengga= ng Li
Shelby Hall L103A
Department of Chemistry
University of Alab= ama
Tuscaloosa, AL 35487-0336
Office: 205-348-4906=20 ------=_Part_13060_14365124.1145805263486-- From owner-chemistry@ccl.net Sun Apr 23 12:57:00 2006 From: "Anil Sam Aron anisamron|,|yahoo.com" To: CCL Subject: CCL:G: Frequency Message-Id: <-31582-060423120616-4857-0DuxoG6Ps6N+0SEu3wbymg_._server.ccl.net> X-Original-From: "Anil Sam Aron" Date: Sun, 23 Apr 2006 12:06:13 -0400 Sent to CCL by: "Anil Sam Aron" [anisamron===yahoo.com] Dear CCL-ites, I am new to this site. I would like to post a question. How do I calculate the harmonic frequency of symmetrically top (or spherically top) molecules like C60 ( and molecules with Ih, Td group etc) using Gaussian98 (or G03)? Thanks, Regards, Anil Sam