From owner-chemistry@ccl.net Tue Oct  9 11:16:01 2012
From: "Vera Cathrine vera.cathrine(_)yahoo.com" <owner-chemistry-x-server.ccl.net>
To: CCL
Subject: CCL:G: G09: Gaussian 09 citation, latex RSC style
Message-Id: <-47741-121009111433-12414-MIm+GacTAQtbcqK5SQJpfQ-x-server.ccl.net>
X-Original-From: "Vera  Cathrine" <vera.cathrine^yahoo.com>
Date: Tue, 9 Oct 2012 11:14:31 -0400


Sent to CCL by: "Vera  Cathrine" [vera.cathrine##yahoo.com]
Dear All,

Can anybody share the the Gaussian09 citation for Latex in Royal Society of Chemistry Style (e.g. PCCP) with me?

Thank you very much in advance.

Vera


From owner-chemistry@ccl.net Tue Oct  9 12:27:01 2012
From: "Jean Jules FIFEN julesfifen||gmail.com" <owner-chemistry##server.ccl.net>
To: CCL
Subject: CCL:G: G09: Gaussian 09 citation, latex RSC style
Message-Id: <-47742-121009122517-13162-YmmI2mdmh04vSPfK74ridw##server.ccl.net>
X-Original-From: Jean Jules FIFEN <julesfifen-$-gmail.com>
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Date: Tue, 9 Oct 2012 17:25:11 +0100
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Sent to CCL by: Jean Jules FIFEN [julesfifen|gmail.com]
Dear Vera,
Below the bibtex for gaussian09.
Best regards,

_-_misc{Gaussian2009,
author="M. J. Frisch and G. W. Trucks and H. B. Schlegel and G. E.
Scuseria and M. A. Robb and J. R. Cheeseman and G. Scalmani and V.
Barone and B. Mennucci and G. A. Petersson and H. Nakatsuji and M.
Caricato and X. Li and H. P. Hratchian and A. F. Izmaylov and J.
Bloino and G. Zheng and J. L. Sonnenberg and M. Hada and M. Ehara and
K. Toyota and R. Fukuda and J. Hasegawa and M. Ishida and T. Nakajima
and Y. Honda and O. Kitao and H. Nakai and T. Vreven and Montgomery,
{Jr.}, J. A. and J. E. Peralta and F. Ogliaro and M. Bearpark and J.
J. Heyd and E. Brothers and K. N. Kudin and V. N. Staroverov and R.
Kobayashi and J. Normand and K. Raghavachari and A. Rendell and J. C.
Burant and S. S. Iyengar and J. Tomasi and M. Cossi and N. Rega and J.
M. Millam and M. Klene and J. E. Knox and J. B. Cross and V. Bakken
and C. Adamo and J. Jaramillo and R. Gomperts and R. E. Stratmann and
O. Yazyev and A. J. Austin and R. Cammi and C. Pomelli and J. W.
Ochterski and R. L. Martin and K. Morokuma and V. G. Zakrzewski and G.
A. Voth and P. Salvador and J. J. Dannenberg and S. Dapprich and A. D.
Daniels and Ö. Farkas and J. B. Foresman and J. V. Ortiz and J.
Cioslowski and D. J. Fox",
title="Gaussian~09 {R}evision {A}.1",
note="Gaussian Inc. Wallingford CT 2009"
}


On 09/10/2012, Vera Cathrine vera.cathrine(_)yahoo.com
<owner-chemistry_-_ccl.net> wrote:
>
> Sent to CCL by: "Vera  Cathrine" [vera.cathrine##yahoo.com]
> Dear All,
>
> Can anybody share the the Gaussian09 citation for Latex in Royal Society of
> Chemistry Style (e.g. PCCP) with me?
>
> Thank you very much in advance.
>
> Vera>
>
>


-- 
Jean Jules FIFEN
Lecturer,
University of Ngaoundere
Faculty of Science
Department of Physics


From owner-chemistry@ccl.net Tue Oct  9 13:59:00 2012
From: "Radhakrishnan Sarangapani radhas78-,-gmail.com" <owner-chemistry:+:server.ccl.net>
To: CCL
Subject: CCL: spectra
Message-Id: <-47743-121008114607-10080-Q0hJL4nSIpGJ6OavfbB9DA:+:server.ccl.net>
X-Original-From: Radhakrishnan Sarangapani <radhas78 ~ gmail.com>
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Date: Mon, 8 Oct 2012 21:15:41 +0530
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Sent to CCL by: Radhakrishnan Sarangapani [radhas78[#]gmail.com]
--14dae9340cf724dd3f04cb8e1d00
Content-Type: text/plain; charset=ISO-8859-1

Hi,
SDBS is the one among the best resources available for exptl spectra.  You
can also get from aldrich website.
regards,
Radhakrishnan

On Sun, Oct 7, 2012 at 11:41 PM, p.d.jarowski-,-surrey.ac.uk <
owner-chemistry]~[ccl.net> wrote:

>
> Sent to CCL by: [p.d.jarowski _ surrey.ac.uk]
> hi,
>
> Try the SDBS. Not so sure about the inorganic data though.
>
> Best,
>
> Peter
>
> ________________________________________
> > From: owner-chemistry+p.d.jarowski==surrey.ac.uk(_)ccl.net[owner-chemistry+p.d.jarowski==
> surrey.ac.uk(_)ccl.net] On Behalf Of quantum chem qchem66/./gmail.com[owner-chemistry(_)
> ccl.net]
> Sent: Sunday, October 07, 2012 1:20 PM
> To: Jarowski PD Dr (Physics)
> Subject: CCL: spectra
>
> Sent to CCL by: "quantum  chem" [qchem66++gmail.com]
> Dear Members,
>                 Is there any database for FTIR or IR spectra of organic and
> inorganic compounds which can be accessed.
> thanks in advance
> qchttp://
> www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt>
>
>


-- 
Dr S Radhakrishnan
Scientist, CEPP Division,
High Energy Materials Research Laboratory,
Pune, Maharashtra, India

--14dae9340cf724dd3f04cb8e1d00
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<div>Hi,</div>
<div>SDBS is the one among the best resources available for exptl spectra.=
=A0 You can also get from aldrich website.</div>
<div>regards,</div>
<div>Radhakrishnan<br><br></div>
<div class=3D"gmail_quote">On Sun, Oct 7, 2012 at 11:41 PM, p.d.jarowski-,-=
<a href=3D"http://surrey.ac.uk">surrey.ac.uk</a> <span dir=3D"ltr">&lt;<a h=
ref=3D"mailto:owner-chemistry]~[ccl.net" target=3D"_blank">owner-chemistry]~[cc=
l.net</a>&gt;</span> wrote:<br>

<blockquote style=3D"BORDER-LEFT:#ccc 1px solid;MARGIN:0px 0px 0px 0.8ex;PA=
DDING-LEFT:1ex" class=3D"gmail_quote"><br>Sent to CCL by: [p.d.jarowski _ <=
a href=3D"http://surrey.ac.uk/" target=3D"_blank">surrey.ac.uk</a>]<br>hi,<=
br>
<br>Try the SDBS. Not so sure about the inorganic data though.<br><br>Best,=
<br><br>Peter<br><br>________________________________________<br>&gt; From:=
 owner-chemistry+p.d.jarowski=3D=3D<a href=3D"http://surrey.ac.uk/" target=
=3D"_blank">surrey.ac.uk</a>(_)<a href=3D"http://ccl.net/" target=3D"_blank=
">ccl.net</a> [owner-chemistry+p.d.jarowski=3D=3D<a href=3D"http://surrey.a=
c.uk/" target=3D"_blank">surrey.ac.uk</a>(_)<a href=3D"http://ccl.net/" tar=
get=3D"_blank">ccl.net</a>] On Behalf Of quantum chem qchem66/./<a href=3D"=
http://gmail.com/" target=3D"_blank">gmail.com</a> [owner-chemistry(_)<a hr=
ef=3D"http://ccl.net/" target=3D"_blank">ccl.net</a>]<br>
Sent: Sunday, October 07, 2012 1:20 PM<br>To: Jarowski PD Dr (Physics)<br>S=
ubject: CCL: spectra<br>
<div class=3D"im"><br>Sent to CCL by: &quot;quantum =A0chem&quot; [qchem66+=
+<a href=3D"http://gmail.com/" target=3D"_blank">gmail.com</a>]<br>Dear Mem=
bers,<br>=A0 =A0 =A0 =A0 =A0 =A0 =A0 =A0 Is there any database for FTIR or =
IR spectra of organic and<br>
inorganic compounds which can be accessed.<br>thanks in advance<br></div>qc=
http://<a href=3D"http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www=
.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt" target=
=3D"_blank">www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chem=
istry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt</a><br>

<div class=3D"HOEnZb">
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arget=3D"_blank">http://www.ccl.net/chemistry/aboutccl/instructions/</a><br=
><br><br></div></div></blockquote></div><br><br clear=3D"all"><br>-- <br>Dr=
 S Radhakrishnan<br>
Scientist, CEPP Division,<br>High Energy Materials Research Laboratory,<br>=
Pune, Maharashtra, India<br>

--14dae9340cf724dd3f04cb8e1d00--


From owner-chemistry@ccl.net Tue Oct  9 16:32:00 2012
From: "Jun Zhang coolrainbow|,|yahoo.cn" <owner-chemistry-x-server.ccl.net>
To: CCL
Subject: CCL: Automatic code generation techniques
Message-Id: <-47744-121009143127-8123-bvNxekP5mXUoFpr+u4/7vQ-x-server.ccl.net>
X-Original-From: Jun Zhang <coolrainbow|yahoo.cn>
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Date: Wed, 10 Oct 2012 02:31:16 +0800 (CST)
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Sent to CCL by: Jun Zhang [coolrainbow-x-yahoo.cn]
---479291050-2072904046-1349807476=:3841
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Dear CCLers:=0A=A0=0AI=A0get interested in automatic code generation techni=
ques, such as that implemented in the libINIT, which =0Agenertates code for=
 2e integrals automatically form recursive formalur and automaitically anal=
yze the computation=0Acost of different recursive path by graph theory. Are=
 there papers on these topics? Any suggestions will be appreciated.=0A=A0=
=0ABest regards!=0A=0A-----------------------------------------------------=
-----------=0AJun Zhang (coolrainbow%%yahoo.cn)=0AInstitut f=FCr Theoretisch=
e Chemie=0ADeutschland
---479291050-2072904046-1349807476=:3841
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<html><body><div style=3D"color:#000; background-color:#fff; font-family:ti=
mes new roman, new york, times, serif;font-size:12pt"><div><span>Dear CCLer=
s:</span></div><div style=3D"color: rgb(0, 0, 0); font-family: times new ro=
man, new york, times, serif; font-size: 16px; font-style: normal; backgroun=
d-color: transparent;"><span></span>&nbsp;</div><div style=3D"color: rgb(0,=
 0, 0); font-family: times new roman, new york, times, serif; font-size: 16=
px; font-style: normal; background-color: transparent;"><span>I&nbsp;get in=
terested in automatic code generation techniques, such as that implemented =
in the libINIT, which </span></div><div style=3D"color: rgb(0, 0, 0); font-=
family: times new roman, new york, times, serif; font-size: 16px; font-styl=
e: normal; background-color: transparent;"><span>genertates code for 2e int=
egrals automatically form recursive formalur and automaitically analyze the=
 computation</span></div><div style=3D"color: rgb(0, 0, 0); font-family: ti=
mes
 new roman, new york, times, serif; font-size: 16px; font-style: normal; ba=
ckground-color: transparent;"><span>cost of different recursive path by gra=
ph theory. Are there papers on these topics? Any suggestions will be apprec=
iated.</span></div><div style=3D"color: rgb(0, 0, 0); font-family: times ne=
w roman, new york, times, serif; font-size: 16px; font-style: normal; backg=
round-color: transparent;"><span></span>&nbsp;</div><div style=3D"color: rg=
b(0, 0, 0); font-family: times new roman, new york, times, serif; font-size=
: 16px; font-style: normal; background-color: transparent;"><span>Best rega=
rds!</span></div><div>&nbsp;</div><div>------------------------------------=
----------------------------<br>Jun Zhang (coolrainbow%%yahoo.cn)<br>Institu=
t f=FCr Theoretische Chemie<br>Deutschland</div></div></body></html>
---479291050-2072904046-1349807476=:3841--