Dear Benoit,
There is a relat= ionship between collision theory and activation energy.
The trick for un= derstanding it is:
1) Search it on physical chemistry books.
2) If it= is not in the books, look it in papers, or even in google.
3) If you ca= nnot find it with steps 1 or 2, then, and only then, ask it in CCL.

= However, I am sure that for the relationship you are looking you only need = step 1.

I am sorry to write in this way but, as a rule, if you need = some basic information first look it by yourself. Don't ask other people to= look it for you.

Sincerely,
Sebast= ian

<= font color=3D"black" face=3D"courier new,courier,mono">

From: benoit beno= it bonoit_10*_*yahoo.fr <owner-chemistry:ccl.net>
To: "Kozuch, Sebastian " <koz= uchs:yahoo.com>
Sent:<= /b> Sunday, February 24, 2013 9:22 AM
Subject: CCL: Collision theory/Activation energy

=0A
Sent to CCL by: "benoit benoit" [bonoit_10#,#yaho= o.fr]
Dear CCLers,

I'd like to enquire about the relationship (if= it exists) between the collision theory and activation energy.

Any = help is welcomed and very appreciated.

Sincerely,

Benoit
<= br>

-=3D This is automatically added to each message by the mailing = script =3D-
To recover the email address of the author of the message, p= lease change
the strange characters on the top line to the : sign. You c= an also
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ht= tp://www.ccl.net/cgi-bin/ccl/send_ccl_message

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=

---1904887370-2081835288-1361723777=:72463-- From owner-chemistry@ccl.net Sun Feb 24 12:12:00 2013 From: "Dillen, Jan jlmd_-_sun.ac.za JLMD_-_sun.ac.za" To: CCL Subject: CCL: how to define symmetry Message-Id: <-48300-130224113549-10447-QNSjPFHTOevCmTcyLC0sdQ_._server.ccl.net> X-Original-From: "Dillen, Jan " Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="utf-8" Date: Sun, 24 Feb 2013 16:35:32 +0000 MIME-Version: 1.0 Sent to CCL by: "Dillen, Jan [jlmd:_:sun.ac.za]" It would be useful if you did specify what computer program you are using. I tried it myself, but after about 40 years in this business, I have found out that just shouting "help" does not work. jd -----Original Message----- > From: owner-chemistry+jlmd==sun.ac.za]-[ccl.net [mailto:owner-chemistry+jlmd==sun.ac.za]-[ccl.net] On Behalf Of mahnaz gh mahnaz271163!A!yahoo.com Sent: 23 February 2013 22:55 To: Dillen, Jan Subject: CCL: how to define symmetry Sent to CCL by: "mahnaz gh" [mahnaz271163() yahoo.com] I'd like to enquire about how I should define a specific symmetry for my molecule (ligand). Please help me to know what is the right keyword, my symmetry is C2V. where should I input the keyword? mahnazhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt________________________________ E-pos vrywaringsklousule Hierdie e-pos mag vertroulike inligting bevat en mag regtens geprivilegeerd wees en is slegs bedoel vir die persoon aan wie dit geadresseer is. Indien u nie die bedoelde ontvanger is nie, word u hiermee in kennis gestel dat u hierdie dokument geensins mag gebruik, versprei of kopieer nie. Stel ook asseblief die sender onmiddellik per telefoon in kennis en vee die e-pos uit. Die Universiteit aanvaar nie aanspreeklikheid vir enige skade, verlies of uitgawe wat voortspruit uit hierdie e-pos en/of die oopmaak van enige lêers aangeheg by hierdie e-pos nie. E-mail disclaimer This e-mail may contain confidential information and may be legally privileged and is intended only for the person to whom it is addressed. If you are not the intended recipient, you are notified that you may not use, distribute or copy this document in any manner whatsoever. Kindly also notify the sender immediately by telephone, and delete the e-mail. The University does not accept liability for any damage, loss or expense arising from this e-mail and/or accessing any files attached to this e-mail. From owner-chemistry@ccl.net Sun Feb 24 12:47:00 2013 From: "Michel Petitjean petitjean.chiral!=!gmail.com" To: CCL Subject: CCL: how to define symmetry Message-Id: <-48301-130224123842-14561-Mn3ln44Y9vcWGnItmc3WoQ^server.ccl.net> X-Original-From: Michel Petitjean Content-Type: text/plain; charset=ISO-8859-1 Date: Sun, 24 Feb 2013 18:38:35 +0100 MIME-Version: 1.0 Sent to CCL by: Michel Petitjean [petitjean.chiral**gmail.com] It seemed to me that Mahnaz was rather looking for a keyword when launching some unspecified software. An alternate solution to Avnir's CSM is the freeware QCM: http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html#QCM Theory is summarized on my web site (URL below). Best, Michel. Michel Petitjean MTi, INSERM UMR-S 973, University Paris 7 35 rue Helene Brion, 75205 Paris Cedex 13, France. Phone: +331 5727 8434; Fax: +331 5727 8372 E-mail: petitjean.chiral{:}gmail.com (preferred), michel.petitjean{:}univ-paris-diderot.fr http://petitjeanmichel.free.fr/itoweb.petitjean.html 2013/2/23 Adrian Jinich ajinich.{:}.gmail.com : > I don't know if this is what you're looking for, but you should check out > David Avnir's Continuous Symmetry Measures (CSM). It's pretty cool stuff! > > Publications: > http://chem.ch.huji.ac.il/avnir/p_symmetry.html > > and online CSM tool: > http://www.csm.huji.ac.il/new/ > > best > Adrian Jinich > > > > > On Sat, Feb 23, 2013 at 3:54 PM, mahnaz gh mahnaz271163!A!yahoo.com > wrote: >> >> >> Sent to CCL by: "mahnaz gh" [mahnaz271163() yahoo.com] >> I'd like to enquire about how I should define a specific symmetry for my >> molecule (ligand). >> Please help me to know what is the right keyword, my symmetry is C2V. >> where should I input the keyword? >> >> mahnaz >> From owner-chemistry@ccl.net Sun Feb 24 13:22:01 2013 From: "Andrew Yeung andrew.yeung::chem.tamu.edu" To: CCL Subject: CCL:G: how to define symmetry Message-Id: <-48302-130224121435-18897-jaRMt2Lxnfm0DFxJjsoppQ .. server.ccl.net> X-Original-From: Andrew Yeung Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Sun, 24 Feb 2013 11:14:28 -0600 MIME-Version: 1.0 Sent to CCL by: Andrew Yeung [andrew.yeung###chem.tamu.edu] Which program are you using? For NWChem, you can define it using the symmetry keyword. Refer to this link: http://www.nwchem-sw.org/index.php/Geometry_examples I don't think it's possible to define which point group you want using Gaussian. You can only tell Gaussian the maximum (not minimum!) symmetry to use using symm(PG= ) keyword. Gaussian will decide if your starting geometry has any symmetry, within certain tolerances. You can use the symm=loose to "snap" a nearly symmetric molecule into the closest point group. The help file is here: http://www.gaussian.com/g_tech/g_ur/k_symmetry.htm Andrew Yeung Donald J. Darensbourg Research Group Department of Chemistry, Texas A&M University 3255 TAMU College Station, TX 77843-3255 Tel: 979 845 4837 Fax: 979 845 0158 On 2013-02-23 2:54 PM, mahnaz gh mahnaz271163!A!yahoo.com wrote: > Sent to CCL by: "mahnaz gh" [mahnaz271163() yahoo.com] > I'd like to enquire about how I should define a specific symmetry for my molecule (ligand). > Please help me to know what is the right keyword, my symmetry is C2V. > where should I input the keyword? > > mahnaz> > From owner-chemistry@ccl.net Sun Feb 24 14:02:00 2013 From: "mahnaz ghiasi mahnaz271163---yahoo.com" To: CCL Subject: CCL:G: how to define symmetry Message-Id: <-48303-130224134949-14582-0+5zWWo9Aubv52VzTicH5A-#-server.ccl.net> X-Original-From: mahnaz ghiasi Content-Type: multipart/alternative; boundary="-554184862-518205126-1361731782=:23706" Date: Sun, 24 Feb 2013 10:49:42 -0800 (PST) MIME-Version: 1.0 Sent to CCL by: mahnaz ghiasi [mahnaz271163]*[yahoo.com] ---554184862-518205126-1361731782=:23706 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable hi=0Amy program is gaussian 09, you know I'm a beginner in this field so I = don't know where should I add keywords=0A=0Amahnaz=0A=0A=0A=0A=0A__________= ______________________=0A From: "Dillen, Jan jlmd_-_sun.ac.za JLMD_-_sun.ac= .za" =0ATo: "Ghiasi, Mahnaz " =0ASent: Sunday, February 24, 2013 8:05 PM=0ASubject: CCL: how= to define symmetry=0A =0A=0ASent to CCL by: "Dillen, Jan [jlmd:_:sun.ac.za= ]" =0AIt would be useful if you did specify what computer= program you are using. I tried it myself, but after about 40 years in this= business, I have found out that just shouting "help" does not work.=0A=0Aj= d=0A=0A-----Original Message-----=0A> From: owner-chemistry+jlmd=3D=3Dsun.a= c.za::ccl.net [mailto:owner-chemistry+jlmd=3D=3Dsun.ac.za::ccl.net] On Beha= lf Of mahnaz gh mahnaz271163!A!yahoo.com=0ASent: 23 February 2013 22:55=0AT= o: Dillen, Jan =0ASubject: CCL: how to define symmetry=0A= =0A=0ASent to CCL by: "mahnaz=A0 gh" [mahnaz271163() yahoo.com] I'd like to= enquire about how I should define a specific symmetry for my molecule (lig= and).=0APlease help me to know what is the right keyword, my symmetry is C2= V.=0Awhere should I input the keyword?=0A=0Amahnazhttp://www.ccl.net/cgi-bi= n/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://ww= w.ccl.net/spammers.txt________________________________=0A=0AE-pos vrywaring= sklousule Hierdie e-pos mag vertroulike inligting bevat en mag regtens gepr= ivilegeerd wees en is slegs bedoel vir die persoon aan wie dit geadresseer = is. Indien u nie die bedoelde ontvanger is nie, word u hiermee in kennis ge= stel dat u hierdie dokument geensins mag gebruik, versprei of kopieer nie. = Stel ook asseblief die sender onmiddellik per telefoon in kennis en vee die= e-pos uit. Die Universiteit aanvaar nie aanspreeklikheid vir enige skade, = verlies of uitgawe wat voortspruit uit hierdie e-pos en/of die oopmaak van = enige l=EAers aangeheg by hierdie e-pos nie. E-mail disclaimer This e-mail = may contain confidential information and may be legally privileged and is i= ntended only for the person to whom it is addressed. If you are not the int= ended recipient, you are notified that you may not use, distribute or copy = this document in any manner whatsoever. Kindly also notify the sender immed= iately by telephone, and delete the e-mail. The University does not accept !=0Aliability for any damage, loss or expense a= rising from this e-mail and/or accessing any files attached to this e-mail.= =0A=0A=0A=0A-=3D This is automatically added to each message by the mailing= script =3D-=0ATo recover the email address of the author of the message, p= lease change=0Athe strange characters on the top line to the !^! sign. You ca= n also=0A=0A=0AE-mail = to subscribers: CHEMISTRY!^!ccl.net or use:=0A=A0 =A0 =A0 http://www.ccl.net/= cgi-bin/ccl/send_ccl_message=0A=0AE-mail to administrators: CHEMISTRY-REQUE= ST!^!ccl.net or use=0A=A0 =A0 =A0 http://www.ccl.net/cgi-bin/ccl/send_ccl_mes= sage=0A=0A=0A=A0 =A0 =A0 http://www.ccl.net/chemistr= y/sub_unsub.shtml=0A=0ABefore posting, check wait time at: http://www.ccl.n= et=0A=0A=0AConferences: http://server.ccl.net/= chemistry/announcements/conferences/=0A=0ASearch Messages: http://www.ccl.n= et/chemistry/searchccl/index.shtml=0A=0AIf your mail bounces from CCL with = 5.7.1 error, check:=0A=A0 =A0 =A0=0A=0ARTFI= : http://www.ccl.net/chemistry/aboutccl/instructions/ ---554184862-518205126-1361731782=:23706 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable
hi
my program is gaussian 0= 9, you know I'm a beginner in this field so I don't know where should I add= keywords

mahnaz

=

From: "Dillen, Jan jlm= d_-_sun.ac.za JLMD_-_sun.ac.za" <owner-chemistry!^!ccl.net>
To: "Ghiasi, Mahnaz " <= ;mahnaz271163!^!yahoo.com>
Sent= : Sunday, February 24, 2013 8:05 PM
Subject: CCL: how to define symmetry
<= /div>
=0A
Sent to CCL by: "Dillen, Jan [jlmd:_:sun.ac.za]" <JLMD:= _:sun.ac.za>
It would be useful if you did specify what computer prog= ram you are using. I tried it myself, but after about 40 years in this busi= ness, I have found out that just shouting "help" does not work.

jd
-----Original Message-----
> From: owner-chemistry+jlmd=3D=3Dsu= n.ac.za::ccl.net [mailto:owner-chemistry+jlmd=3D=3Dsun.ac.za::ccl.net] On B= ehalf Of mahnaz gh mahnaz271163!A!yahoo.com
Sent: 23 February 2013 22:55=
To: Dillen, Jan <jlmd::sun.ac.za>
Subject: CCL: how to define = symmetry

Sent to CCL by: "mahnaz gh" [mahnaz271163() yahoo.com] I'd like to enqui= re about how I should define a specific symmetry for my molecule (ligand).<= br>Please help me to know what is the right keyword, my symmetry is C2V.where should I input the keyword?

mahnazhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp:= //www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt_____= ___________________________

E-pos vrywaringsklousule Hierdie e-pos m= ag vertroulike inligting bevat en mag regtens geprivilegeerd wees en is sle= gs bedoel vir die persoon aan wie dit geadresseer is. Indien u nie die bedo= elde ontvanger is nie, word u hiermee in kennis gestel dat u hierdie dokume= nt geensins mag gebruik, versprei of kopieer nie. Stel ook asseblief die se= nder onmiddellik per telefoon in kennis en vee die e-pos uit. Die Universit= eit aanvaar nie aanspreeklikheid vir enige skade, verlies of uitgawe wat vo= ortspruit uit hierdie e-pos en/of die oopmaak van enige l=EAers aangeheg by= hierdie e-pos nie. E-mail disclaimer This e-mail may contain confidential = information and may be legally privileged and is intended only for the pers= on to whom it is addressed. If you are not the intended recipient, you are notified that you may not use, distribute or copy this document in= any manner whatsoever. Kindly also notify the sender immediately by teleph= one, and delete the e-mail. The University does not accept !
liability = for any damage, loss or expense arising from this e-mail and/or accessing a= ny files attached to this e-mail.

-=3D This is automatically= added to each message by the mailing script =3D-
To recover the email a= ddress of the author of the message, please change
the strange character= s on the top line to the !^! sign. You can also
look up the X-Original-Fro= m: line in the mail header.

E-mail to subscribers: CHEMISTRY!^!ccl.net<= /a> or use:
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Before posting, check wait time at= : http://www.ccl.net
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Search Mes= sages: http://www.ccl.net/chemistry/searchccl/index.shtml

If your ma= il bounces from CCL with 5.7.1 error, check:
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RTFI: http://www.ccl.net/chemistry/aboutcc= l/instructions/

---554184862-518205126-1361731782=:23706-- From owner-chemistry@ccl.net Sun Feb 24 15:27:00 2013 From: "John Keller jwkeller/a\alaska.edu" To: CCL Subject: CCL: how to define symmetry Message-Id: <-48304-130224152509-9479-pUOIn2mrkpIG9LPP3uyaQw|-|server.ccl.net> X-Original-From: John Keller Content-Type: multipart/alternative; boundary=047d7b6da40c295e1c04d67e386d Date: Sun, 24 Feb 2013 11:25:03 -0900 MIME-Version: 1.0 Sent to CCL by: John Keller [jwkeller*alaska.edu] --047d7b6da40c295e1c04d67e386d Content-Type: text/plain; charset=ISO-8859-1 Dear Mahnez, WebMO v 12 and v13 has symmetry-detection and symmetrization functions. Visit the WebMO website at http://www.webmo.net/demo/index.html and try it out for yourself as guest login. John Keller Department of Chemistry & Biochemistry University of Alaska Fairbanks On Sat, Feb 23, 2013 at 11:54 AM, mahnaz gh mahnaz271163!A!yahoo.com < owner-chemistry]~[ccl.net> wrote: > > Sent to CCL by: "mahnaz gh" [mahnaz271163() yahoo.com] > I'd like to enquire about how I should define a specific symmetry for my > molecule (ligand). > Please help me to know what is the right keyword, my symmetry is C2V. > where should I input the keyword? > > mahnaz> > > --047d7b6da40c295e1c04d67e386d Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable
Dear Mahnez,
WebMO v 12 and v13 has symmetry-= detection and symmetrization functions. Visit the WebMO website at http://www.webmo.net/demo/index.h= tml

and try it out for yourself as guest login.
John Keller
D= epartment of Chemistry & Biochemistry
University of Alaska Fairbanks=

On Sat, Feb 23, 2013 at 11:54 AM, mahnaz gh mahnaz271163!A!yahoo.com <owner-chemistry]~[ccl.net> w= rote:

Sent to CCL by: "mahnaz =A0gh" [mahnaz271163() yahoo.com]
I'd like to enquire about how I should define a specific symmetry for m= y molecule (ligand).
Please help me to know what is the right keyword, my symmetry is C2V.
where should I input the keyword?

mahnaz

-=3D This is automatically added to each message by the mailing script =3D-=
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--047d7b6da40c295e1c04d67e386d--