From owner-chemistry@ccl.net Tue Mar 14 03:56:01 2006
From: "Ben Sattelle ben.sattelle^_^postgrad.manchester.ac.uk" <owner-chemistry~~server.ccl.net>
To: CCL
Subject: CCL: DFT for pi-pi Interaction?
Message-Id: <-31186-060314035420-26952-kEKcGUzu402Gqrw1BGsY8A~~server.ccl.net>
X-Original-From: Ben Sattelle <ben.sattelle . postgrad.manchester.ac.uk>
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Sent to CCL by: Ben Sattelle [ben.sattelle . postgrad.manchester.ac.uk]
hi,

BH&H ... J Comput Chem 27: 491-504, 2006

ben.

> Sent to CCL by: "Sue  L" [chsue2004 .. yahoo.com]
> Hi,
>
> Do you know any DFT method that describes well the pi-pi interaction 
> of the aromatic system?
>
> Thank you very much.
>
> Sue------------------------------------------------------------
Mr B.M. Sattelle, Room B8, Jackson's Mill,
School of Chemical Engineering and Analytical Science (CEAS),
The University of Manchester, PO Box 88,
Sackville Street, Manchester, M60 1QD, UK.

Tel: [+44] (0)161 306 8857
http://www.mib.ac.uk/
http://neon.ce.umist.ac.uk/
http://www.manchester.ac.uk/ceas
------------------------------------------------------------


From owner-chemistry@ccl.net Tue Mar 14 05:06:00 2006
From: "Dipankar Roy dipankarroy_-_iitb.ac.in" <owner-chemistry . server.ccl.net>
To: CCL
Subject: CCL: DFT for pi-pi Interaction?
Message-Id: <-31188-060314041735-5263-ZpeyRKOH5aCGNWmIKGZCDg . server.ccl.net>
X-Original-From: "Dipankar Roy" <dipankarroy{=}iitb.ac.in>
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Date: Tue, 14 Mar 2006 14:00:22 +0530 (IST)
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Sent to CCL by: "Dipankar Roy" [dipankarroy{:}iitb.ac.in]
Hi,
   Check the following articles:
Journal of Chemical Physics  2005, 123 ,10, pp. 1-10
Journal of Physical Chemistry A  2005, 109 ,19, pp. 4209-4212
Chemical Physics Letters  2004, 397 (1-3), pp. 56-61
Chemical Physics Letters  2004, 394 (4-6), pp. 334-338
Chemistry - A European Journal 2004, 10, 4, pp 3423-3429


> Sent to CCL by: "Sue  L" [chsue2004 .. yahoo.com]
> Hi,
>
> Do you know any DFT method that describes well the pi-pi interaction of
> the aromatic system?
>
> Thank you very much.
>
> Sue>
>
>
>


***********************************************
   Dipankar Roy
   Graduate Student of Prof. R. B. Sunoj
   Computational Chemistry Laboratoty
   Dept. of Chemistry
   Indian Institute of Technology, Bombay
   India - 400076
   Phone: +91-22-2576-4130(lab)
***********************************************

 GETTING A SIMPLE ANSWER FROM A PROFESSOR IS LIKE
 GETTING A THIMBLE OF WATER FROM A FIRE HYDRANT.
                       - PROF. LEN SHAPIRO, NDSU


From owner-chemistry@ccl.net Tue Mar 14 05:40:01 2006
From: "Jamie Platts platts::Cardiff.ac.uk" <owner-chemistry]^[server.ccl.net>
To: CCL
Subject: CCL: DFT for pi-pi Interaction?
Message-Id: <-31189-060314045401-18942-XfaojYv1GS1uykLLfKXHLg]^[server.ccl.net>
X-Original-From: "Jamie Platts" <platts===Cardiff.ac.uk>
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Date: Tue, 14 Mar 2006 09:17:37 +0000
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Sent to CCL by: "Jamie Platts" [platts|,|Cardiff.ac.uk]
Dear Sue

We recently found such a method, as set out in 

Hybrid density functional theory for pi-stacking interactions: Application to
benzenes, pyridines, and DNA bases, J. Comput. Chem., 2006, 27, 491-504. DOI
10.1002/jcc

It seems this works by accident, cancelling errors in the HF and LDA exchange,
but nonetheless works well for all cases we have been able to test.

Let me know if you would like a reprint,

Jamie

----------------------------------------------------------
Jamie Platts
School of Chemistry       Phone: +44 (0) 2920 874950
Cardiff University            Email: platts.at.cf.ac.uk 
Park Place                     FAX:   +44 (0) 2920 874030
Cardiff CF10 3AT            www.cf.ac.uk/chemy

>>> owner-chemistry_._ccl.net 03/14/06 5:02 am >>>
Sent to CCL by: "Sue  L" [chsue2004 .. yahoo.com]
Hi,

Do you know any DFT method that describes well the pi-pi interaction of the
aromatic system? 

Thank you very much.

Sue


From owner-chemistry@ccl.net Tue Mar 14 06:15:00 2006
From: "Stefan Grimme grimmes]~[uni-muenster.de" <owner-chemistry*_*server.ccl.net>
To: CCL
Subject: CCL: DFT for pi-pi Interaction?
Message-Id: <-31190-060314053026-11767-uKxuO21mT4w7naKs8bEBYw*_*server.ccl.net>
X-Original-From: Stefan Grimme <grimmes=uni-muenster.de>
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Date: Tue, 14 Mar 2006 11:27:25 +0100
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Sent to CCL by: Stefan Grimme [grimmes##uni-muenster.de]
On Tuesday 14 March 2006 05:31, Sue L chsue2004!A!yahoo.com wrote:
> Sent to CCL by: "Sue  L" [chsue2004 .. yahoo.com]
> Hi,
>
> Do you know any DFT method that describes well the pi-pi interaction of the
> aromatic system?
>
> Thank you very much.
>
> Sue
Standard functionals like B-LYP or PBE with a C6*R-6 dispersion correction, 
see e.g.
S. Grimme, Accurate description of van der Waals complexes by density 
functional theory including empirical corrections, J. Comput. Chem. 25, 
(2004), 1463-1476
and ref. therein.
Regards
Stefan
____________________________________________________________
Prof. Dr. Stefan Grimme
Organisch-Chemisches Institut (Abt. Theoretische Chemie)
Westfaelische Wilhelms-Universitaet, Corrensstrasse 40
D-48149 Muenster, Tel (+49)-251-83 36512/33241/36515(Fax)
Email:grimmes|uni-muenster.de
http://www.uni-muenster.de/Chemie/OC/research/grimme/
____________________________________________________________


From owner-chemistry@ccl.net Tue Mar 14 06:51:01 2006
From: "Dufaure Corinne corinne_dufaure[-]yahoo.fr" <owner-chemistry|*|server.ccl.net>
To: CCL
Subject: CCL: bond energy
Message-Id: <-31191-060314060231-1125-htjth6KDOE13Obn5B+J3vg|*|server.ccl.net>
X-Original-From: Dufaure Corinne <corinne_dufaure.:.yahoo.fr>
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Date: Tue, 14 Mar 2006 11:02:24 +0100 (CET)
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Sent to CCL by: Dufaure Corinne [corinne_dufaure**yahoo.fr]
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hello,
   
  I want to calculate the energy of a O-O bond in an organic molecule.
  As the molecule is bicyclic, I can not calculate the E of two isolated fragments resulting from the scission of the O-O bond. Moreover, the scission is homolitic resulting in a biradical O*-O*.
  I would like to use DFT.
   
  Could you give me advice?
  thanks, sincerely,
   
  Cd

		
---------------------------------
 Nouveau : téléphonez moins cher avec Yahoo! Messenger ! Découvez les tarifs exceptionnels pour appeler la France et l'international.Téléchargez la version beta.
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<div>hello,</div>  <div>&nbsp;</div>  <div>I want to calculate the energy of a O-O bond in an organic&nbsp;molecule.</div>  <div>As the molecule is bicyclic, I can not calculate the E of two isolated fragments resulting from the scission of the O-O bond. Moreover, the scission is homolitic resulting in a biradical O*-O*.</div>  <div>I would like to use DFT.</div>  <div>&nbsp;</div>  <div>Could you give me advice?</div>  <div>thanks, sincerely,</div>  <div>&nbsp;</div>  <div>Cd</div><p>
		<hr size=1> Nouveau : téléphonez moins cher avec Yahoo! Messenger ! Découvez les tarifs exceptionnels pour appeler la France et l'international.
<a href="http://us.rd.yahoo.com/messenger/mail_taglines/default/*http://fr.beta.messenger.yahoo.com">Téléchargez</a> la version beta.
--0-1424006722-1142330544=:28364--


From owner-chemistry@ccl.net Tue Mar 14 07:36:00 2006
From: "Jim Kress ccl_nospam-.-kressworks.com" <owner-chemistry(~)server.ccl.net>
To: CCL
Subject: CCL: Calculation of ESR/ EPR spectra
Message-Id: <-31192-060313185745-1350-fE7tG0lkSCTbly3TLJjdoA(~)server.ccl.net>
X-Original-From: "Jim Kress" <ccl_nospam!^!kressworks.com>
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Sent to CCL by: "Jim Kress" [ccl_nospam__kressworks.com]

Anybody know of (preferably) free software that interfaces with GAMESS/
PCGAMESS and calculates ESR/EPR spectra?

Thanks.

Jim


From owner-chemistry@ccl.net Tue Mar 14 08:10:00 2006
From: "Jim Kress ccl_nospam[-]kressworks.com" <owner-chemistry|*|server.ccl.net>
To: CCL
Subject: CCL: DFT for pi-pi Interaction?
Message-Id: <-31193-060314073922-22989-dFVibU3rWcLnB2XFtu5dhg|*|server.ccl.net>
X-Original-From: "Jim Kress" <ccl_nospam..kressworks.com>
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Date: Tue, 14 Mar 2006 07:39:02 -0500
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Sent to CCL by: "Jim Kress" [ccl_nospam[#]kressworks.com]
Hybrid Meta Density Functional Theory Methods for Thermochemistry,
Thermochemical
Kinetics, and Noncovalent Interactions: The MPW1B95 and MPWB1K Models and
Comparative Assessments for Hydrogen Bonding and van der Waals Interactions

http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2004/108/i33/pdf/jp048147q.pd
f

Jim 

> -----Original Message-----
> From: Sue L chsue2004!A!yahoo.com [mailto:owner-chemistry : ccl.net] 
> Sent: Monday, March 13, 2006 11:47 PM
> To: Kress, Jim 
> Subject: CCL: DFT for pi-pi Interaction?
> 
> Sent to CCL by: "Sue  L" [chsue2004 .. yahoo.com] Hi,
> 
> Do you know any DFT method that describes well the pi-pi 
> interaction of the aromatic system? 
> 
> Thank you very much.
> 
> Sue
> 
> 
> 
> -= This is automatically added to each message by the mailing 
> script =- To recover the email address of the author of the 
> message, please change the strange characters on the top line 
> to the  :  sign. You can also look up the X-Original-From: line 
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> 
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> Password: search)> 
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> 
> 
> 
> 
> 
>


From owner-chemistry@ccl.net Tue Mar 14 08:45:00 2006
From: "Jim Kress ccl_nospam..kressworks.com" <owner-chemistry{=}server.ccl.net>
To: CCL
Subject: CCL: DFT for pi-pi Interaction?
Message-Id: <-31194-060314074936-27282-UP5Mfr8K7lAv18J3vP2grw{=}server.ccl.net>
X-Original-From: "Jim Kress" <ccl_nospam*kressworks.com>
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Sent to CCL by: "Jim Kress" [ccl_nospam a kressworks.com]
Also, in the latest JCTC:

Design of Density Functionals by Combining the Method of Constraint
Satisfaction with Parametrization for Thermochemistry, Thermochemical
Kinetics, and Noncovalent Interactions
Yan Zhao, Nathan E. Schultz, and Donald G. Truhlar

http://dx.doi.org/10.1021/ct0502763


Jim
 

> -----Original Message-----
> From: Sue L chsue2004!A!yahoo.com [mailto:owner-chemistry||ccl.net] 
> Sent: Monday, March 13, 2006 11:47 PM
> To: Kress, Jim 
> Subject: CCL: DFT for pi-pi Interaction?
> 
> Sent to CCL by: "Sue  L" [chsue2004 .. yahoo.com] Hi,
> 
> Do you know any DFT method that describes well the pi-pi 
> interaction of the aromatic system? 
> 
> Thank you very much.
> 
> Sue
> 
> 
> 
> -= This is automatically added to each message by the mailing 
> script =- To recover the email address of the author of the 
> message, please change the strange characters on the top line 
> to the || sign. You can also look up the X-Original-From: line 
> in the mail header.> Conferences: 
> http://server.ccl.net/chemistry/announcements/conferences/
> 
> Search Messages: http://www.ccl.net/htdig  (login: ccl, 
> Password: search)> 
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> 
> 
> 
> 
>


From owner-chemistry@ccl.net Tue Mar 14 09:20:03 2006
From: "Qadir Timerghazin Qadir.Timerghazin|a|CERMM.Concordia.CA" <owner-chemistry_._server.ccl.net>
To: CCL
Subject: CCL: Dalton software
Message-Id: <-31195-060313221210-4229-a4e1RSOr9LFRD2BhHkgQbg_._server.ccl.net>
X-Original-From: Qadir Timerghazin <Qadir.Timerghazin=-=CERMM.Concordia.CA>
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Date: Mon, 13 Mar 2006 21:35:11 -0500
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Sent to CCL by: Qadir Timerghazin [Qadir.Timerghazin~~CERMM.Concordia.CA]

Yes, I compiled Dalton successfully on Opteron machine using the latest Intel Fortran
and C compilers; all tests run fine, save usual walk_vibav and rsp
tests. The compilation process went smoothly, without any manual
intervention, usual "./configure; make". The OS is Suse 9.1. 

Qadir

On Mon, Mar 13, 2006 at 08:42:17PM -0500, igor novak upper_peirce!A!yahoo.com wrote:
> Sent to CCL by: "igor  novak" [upper_peirce]-[yahoo.com]
> Dear CCL netters,
> has anybody compiled Dalton code for AMD64 Athlon CPU??
> Regards
> I.Novak
> 
> 

-- 

******************************************************
Qadir K. Timerghazin
Centre for Research in Molecular Modeling (CERMM)

Concordia University
Richard J. Renaud Science Complex
7141 Sherbrooke St.West
Montréal, Québec, CANADA H4B 1R6

Phone: (514) 848 2424 x3336
******************************************************


From owner-chemistry@ccl.net Tue Mar 14 09:55:00 2006
From: "Alfred Gil agil . cesca.es" <owner-chemistry(a)server.ccl.net>
To: CCL
Subject: CCL:G: SVD failed for GenInv Error in G03.C02
Message-Id: <-31196-060314040354-31321-uNy46x+EILo1kNckC1/Z/g(a)server.ccl.net>
X-Original-From: "Alfred  Gil" <agil^-^cesca.es>
Date: Tue, 14 Mar 2006 04:03:52 -0500


Sent to CCL by: "Alfred  Gil" [agil/a\cesca.es]
Hello,

I am running a pcm solvent calculation in g03 (rev c02) with the following parameters

 opt(modredundant,maxcycle=100) ub3lyp/6-31g(d,p) scrf=(solvent=water,pcm)


From owner-chemistry@ccl.net Tue Mar 14 10:30:01 2006
From: "Gerhard Wolber wolber!A!inteligand.com" <owner-chemistry^_^server.ccl.net>
To: CCL
Subject: CCL: New: LigandScout 1.0 Pharmacophore Generator
Message-Id: <-31197-060314083457-24505-MTkjJNU8Q9bONDTWrN6TPA^_^server.ccl.net>
X-Original-From: "Gerhard  Wolber" <wolber,,inteligand.com>
Date: Tue, 14 Mar 2006 08:34:52 -0500


Sent to CCL by: "Gerhard  Wolber" [wolber]~[inteligand.com]
Dear colleagues,

we would like to announce our new 3D pharmacophore creation tool LigandScout 1.0. It facilitates the creation of structure-based 3D pharmacophores for virtual screening, and allows the combination and comparison of several pharmacophores from similar complexes. An efficient molecular alignment using pharmacophore points within a full-featured graphical user-interface 
allows sophisticated pharmacophore analysis and fine-tuning to create selective pharmacophoric screening filters for a specific purpose. 3D pharmacophore information can be exported to a still growing number of screening platforms.

More information along with an on-line manual can be found on our website (http://www.inteligand.com/ligandscout), as well as an evaluation version for download (http://www.inteligand.com/ligandscout/download.shtml). Software grants for academic institutions are available.

We would appreciate your feed-back including feature requests and comments.

Best regards,
Gerhard Wolber

--
Gerhard Wolber, PhD
Executive Partner, Technology

Inte:Ligand GmbH
Mariahilferstrasse 74B/11
1070 Vienna, Austria, Europe


From owner-chemistry@ccl.net Tue Mar 14 19:38:00 2006
From: "Christopher David Thompson cdth:-:unimelb.edu.au" <owner-chemistry#server.ccl.net>
To: CCL
Subject: CCL: Transition State Search
Message-Id: <-31198-060314193251-21329-UBH7XGzTCl+f5jSnjyxM3Q#server.ccl.net>
X-Original-From: "Christopher David Thompson" <cdth^unimelb.edu.au>
Date: Tue, 14 Mar 2006 19:32:49 -0500


Sent to CCL by: "Christopher David Thompson" [cdth===unimelb.edu.au]
Gday,

I'm attempting a transition state search using the following route line;

 opt=qst2 mp2 geom=connectivity aug-cc-pvdz

The two starting geometries are local minima on the surface. The job is quickly terminating at this 
point;

New curvilinear step not converged.
 ***** Convergence failure in GTrans *****
 Try using 3 structures as input for
 QST transition state search

Thoughts? What 3rd structure would be suitable here?

Cheers,
Chris


From owner-chemistry@ccl.net Tue Mar 14 22:08:01 2006
From: "Sengen Sun sengensun:yahoo.com" <owner-chemistry:+:server.ccl.net>
To: CCL
Subject: CCL: ORGLIST: A breakthrough in mechanism of concerted
Message-Id: <-31199-060314210449-22941-9rDjRORZGea7S+n2+5oVKg:+:server.ccl.net>
X-Original-From: Sengen Sun <sengensun*_*yahoo.com>
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Date: Tue, 14 Mar 2006 18:04:42 -0800 (PST)
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Sent to CCL by: Sengen Sun [sengensun=-=yahoo.com]

Date: Tue, 14 Mar 2006 17:07:12 -0800 (PST)
> From: Sengen Sun <sengensun]-[yahoo.com>
Subject: Re: ORGLIST: A breakthrough in mechanism of
concerted
To: everybody]-[orglist.net

Dear Ravi,
I sincerely welcome your comments. But the issues
you and I raised here really deserve a public debate
in
the ORGLIST. I welcome every one to participate. In
my opinion, the issues here are entirely the confusion
we have had for the last half century. I'd like to
start with some remarks I made in CCL in 2003.
http://www.ccl.net/cgi-bin/ccl/message-new?2003+06+02+016
"...Fukui & Hoffmann well deserved 1981 Nobel
prize due to their discovery of the correlation
between MOs and chemical reactivity. But I don t
think that everything they said is correct. We must
criticize their mistakes hard without mercy. Their
mistakes could have too much negative impacts on our
scientific community due to their high profiles,
especially on experimental chemists with little
theoretical knowledge."

I feel it is much easier to convince many
theoretical chemists than experimentalists that W-H
rules are no more than a very useful mathematical tool
for predicition of reaction products. Hoffmann once
asked a very funny question something like "Should
experimental chemists TRUST theoreticians?" (not the
exact words, but see Theochem 1998, 424:1-6)

I do not have a beter way to explain, but let me
give you recent one of particular examples of
conceptual confusion made by Hoffmann (See JACS, 2002,
124, 6836, Scheme 1, I will forward this article to
any one if requested by e-mail). There, the
intramolecular proton transfer was mistakenly treated
as hydride transfer. That is, the arrows should be
drawn in the exactly opposite direction. I would be
bad if I were just exaggerating some accidental
errors. This is not an accidental error. Such a
mistake derived from our mental assumption of orbital
control, so that well-established acid-base theory in
chemistry can be overturned but by a high profile
Nobel Laureate! To me, his philosophy is that arrows
can be arbitrarily drawn due to orbital control!
I do not mind if you call me an attacker. But I have
a high expectation to a Nobel Laureate. Such a kind of
conceptual mistakes in JACS are unacceptable and
should be corrected by the authors!

For more, please see my ppt file:
http://www.ccl.net/cca/documents/ConcertedCycloadditons_2/
 
By the way, I am proud of myself, while Bader would
be proud of nothing about me as asserted by Ravi. I am
sure that Bader does not know who I am although I
did my Ph.D. at McMaster in organic chemistry
(1989-1994). But I have known him for 20+ years and
have admired his philosophy of QM ever since.

Regards,

Sengen
> 
> 
> --- Ravi Orugunty <rorugunty]-[oragenics.com> wrote:
> 
> > Dear Sengen,
> > I have missed out on the earlier part of your
> > messages wrt to a breakthrough
> > in mechanism of concerted reactions.  However i
> will
> > try to answer the
> > questions that you have raised without resorting
> to
> > any metaphors.
> > Hopefully this might help.
> > Q) What is the mechanism of a chemical reaction?
> > A) Any idea/theory that sufficiently explains the
> > bonds that are broken and
> > formed during the course of any chemical process
> is
> > a mechanism of that
> > chemical reaction.
> > Mankind likes to organize its ideas so that it can
> > understand nature and
> > therby harness it to some useful work and this is
> > also true for mechanisms
> > in chemistry.  Granted that we really dont need to
> > know the mechanism in
> > sufficient detail to get a reaction to work .  Two
> > examples will be provided
> > to sufficiently buttress the above statement. 
> > Undergraduates in chemistry
> > for the most part when they start their first lab
> > rarely know the mechanism
> > of a Grignard reaction but are able to perform the
> > reactions in a lab (Good
> > supervision is essential though).  Prehistoric man
> > had no idea about the
> > mechanism of reductions and electron transfer and
> > yet was highly successful
> > in smelting and purifying iron and other metals.
> > It is perhaps from those early discoveries, that
> > lead man to further
> > investigate  and understand nature.  More so
> > understand nature in terms that
> > would make sense of a myriad of processess that
> were
> > observed in daily life.
> > It is from these observations the language of
> > chemistry evolved and is
> > taught as mechanism and theory of chemistry in any
> > modern class.
> > In that respect i do agree with you that
> mechanisms
> > and theories are no more
> > than a language used by chemists to communicate
> > their ideas.
> > 
> > Q)Are mechanisms of chemical reactions important
> in
> > chemistry.
> > A) Yes, mechanisms are important not to perform
> > chemical reactions (see the
> > example of prehistoric man) but are extremely
> > neccessary to understand
> > chemical processess.  Once one has a better
> > undertanding of any process one
> > can develop newer reactions and thereby new
> products
> > etc. Therefore the
> > language of mechanisms has its utility.
> > 
> > Q)  Was the mechanism of concerted cycloadditions
> > well
> > established before at the theoretical level?
> > A)  We havent established a chronological time
> here
> > but i will answer it
> > without any metaphors.  When Diels and Alder
> > published their first papers
> > (around 1910 or so).  The mechanism of concerted
> > reaction was not known.  In
> > fact, the electronic theory of chemical bonds was
> > being developed by G.N.
> > Lewis and others( i hope my memory serves me right
> > here so please correct me
> > if i'm mistaken).  However as our knowledge of
> > matter progressed with time,
> > Woodward-Hoffman and Fukui developed the modern
> > rules for cycloadditions and
> > they seem to have served mankind in particular
> > organic chemists pretty well.
> > Have these rules stood the test of time? Yes. Any
> > process that violates the
> > W-H theory can be explained using an alternate
> > mechanism that would not
> > require the use of the conservation of molecular
> > orbitals. The "hypnotic
> > effect" of W-H rules are in their elegance in
> > predicting the feasability of
> > a thermaly catalyzed cycloaddition reaction based
> on
> > orbital overlap.
> > Q)Do my computational data tell us some new
> > knowledge
> > of electronic reorganization - the mechanism?
> > (Please,
> > do not tell me to use your favored computational
> > approach unless you can use your approach to prove
> I
> > am wrong!)
> > A) Cant reply to this question?  I'm not a great
> > believer of doing
> > extraordinary computation as i consider myself to
> be
> > an experimentalist.
> > For me the proof is invariably in the pudding ( a
> > metaphor for a change )
> > this is particularly true when one is dealing with
> > peptides and complesx
> > biological systems.
> > 
> > If you have a new theory share it with your fellow
> > scientists by all means.
> > 
> > Facts are observed truths for example matter,
> > energy, gravity and everything
> > else under the sun that nature presents before us.
> > Theories are explainations given by mankind. 
> > Gravity existed long before
> > Newton explained it and the same is true for
> > cycloadditions.  So take it
> > easy.
> > As to wether you choose to publish or not is
> > entirely your choice.  However,
> > I would encourage you to put forth your ideas
> before
> > your peers and learn
> > from what they have to say and make professor
> Bader
> > proud.
> > Hope this helps. Good luck
> > ravi
> > 
> > 
> > I sincerely welcome the comments and suggestions
> by
> > Yuehui and other two people. I'd like to address
> > Yuehui's for now as I am too busy to reply to
> every
> > one.
> > 
> > As I argued in two interenational sympossiums in
> > 2005,
> > prediction and explanation are two different
> things
> > conceptually. Some theories do contain both of
> them,
> > but some others do not. Woodward-Hoffmann rules
> are
> > a
> > very valuable predicting theory derived from a
> > pattern
> > of mathematical operations. It is my strong
> opinion
> > that W-H rules are not equivalent to an
> explanation
> > as
> > neither is FMO theory. Dewar called the W-H to
> have
> > "hypnotic effect", which I could not agree more.
> The
> > reality is that no one understands how "they
> > explain".
> > The discussions via revolutionary internet
> > communications in CCL have led more and more
> > scientists to accept that "orbitals are a means to
> > an
> > end", which I learned initially from Prof. Richard
> > Bader at McMaster University. How do you
> understand
> > an
> > explanation that is based on something of no
> > understandable physical meaning?
> > 
> > I had tortured myself over and over again for
> years
> > before I convinced myself that I have made "a
> > breakthrough in mechanism of concerted
> > cycloadditions". Now I have the confidence to
> defend
> > such a statement. If you don't agree, I'd like to
> > ask
> > you to calm down and to address the following
> > questions in concise languages without metaphors:
> > 
> > 1. What is mechanism of chemical reactions?
> > 
> > 2. Are mechanisms of chemical reactions important
> in
> > chemistry.
> > 
> > 3. Was the mechanism of concerted cycloadditions
> > well
> > established before at the theoretical level?
> > 
> > 4. Do my computational data tell us some new
> > knowledge
> > of electronic reorganization - the mechanism?
> > (Please,
> > do not tell me to use your favored computational
> > approach unless you can use your approach to prove
> I
> > am wrong!)
> > 
> > My theory is about how electrons to move in a
> > concerted reaction. I don't agree with Yuehui that
> a
> > theory must be able to predict. "The earth
> revolves
> > around the sun" is a theory on paper but a fact in
> > the
> > nature.
> > 
> > I could not publish my papers, and I don't need
> one.
> > I
> > don't make a living from publications (as advised
> by
> > Einstein? -:). But the knowledge if correct will
> > benefit the human society one way or the other.
> > 
> > Thanks.
> > 
> > Sengen
> > 
> > 
> > 
> === message truncated ===
> 
> 
> 
> 
> 
> 
> __________________________________________________
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From owner-chemistry@ccl.net Tue Mar 14 22:43:01 2006
From: "Eric Scerri scerri###chem.ucla.edu" <owner-chemistry++server.ccl.net>
To: CCL
Subject: CCL: from Foundations of Chemistry
Message-Id: <-31200-060314163222-28401-PxtOWLLXWQJU4orxOdrJgg++server.ccl.net>
X-Original-From: Eric Scerri <scerri-.-chem.ucla.edu>
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Date: Tue, 14 Mar 2006 13:32:15 -0800
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Sent to CCL by: Eric Scerri [scerri%a%chem.ucla.edu]


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>
>
> Most viewed articles
>
=EF=BF=BC
> Most viewed articles are the full-text articles from this journal =20
> that have been accessed most frequently within the last 90 days. =20
> The collection of most viewed articles below is updated weekly.
>

see signature section for website.


=EF=BF=BC
> 1. Reflections About Mathematical Chemistry
> Balaban, A.T.
> Published Print: October 2005
>
=EF=BF=BC
>
=EF=BF=BC
>
> 2. Green Chemistry: An Innovative Technology
> Kidwai, M., Mohan, R.
> Published Print: October 2005
>
=EF=BF=BC
>
=EF=BF=BC
>
> 3. A Revised Periodic Table: With the Lanthanides Repositioned
> Laing, M.
> Published Print: October 2005
>
=EF=BF=BC
>
=EF=BF=BC
>
> 4. On Recent Discussion Concerning Quantum Justification of the =20
> Periodic Table of the Elements
> Ostrovsky, V.
> Published Print: October 2005
>
=EF=BF=BC
>
=EF=BF=BC
>
> 5. Would Introductory Chemistry Courses Work Better with a New =20
> Philosophical Basis?
> Earley, J.E.
> Published Print: September 2004
>
=EF=BF=BC
>
=EF=BF=BC
>
>
>
=EF=BF=BC
>
>

Dr. Eric Scerri
Department of Chemistry & Biochemistry,
Charles Young Drive,
Los Angeles,
CA 90095.

310 206 7443
fax: 310 206 2061

UCLA faculty web page:   http://www.chem.ucla.edu/dept/Faculty/scerri/

Editor of Foundations of Chemistry,
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00.html

International Society for the Philosophy of Chemistry,
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<HTML><BODY style=3D"word-wrap: break-word; -khtml-nbsp-mode: space; =
-khtml-line-break: after-white-space; "><BR><DIV><BR><BLOCKQUOTE =
type=3D"cite"><DIV style=3D"margin-top: 0px; margin-right: 0px; =
margin-bottom: 0px; margin-left: 0px; min-height: 14px; "><BR></DIV> <BR =
class=3D"Apple-interchange-newline"><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><FONT =
class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"7"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
25px;">Most viewed articles</SPAN></FONT></DIV><BR><IMG =
src=3D"cid:437AFB12-769F-4ABC-A48A-FB6AB07F5ED8__chem.ucla.edu"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; font: normal normal normal 16px/normal Arial; =
min-height: 18px; "><BR></DIV><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; line-height: =
14px; "><FONT class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;">Most viewed articles are the full-text articles from this journal =
that have been accessed most frequently within the last 90 days. The =
collection of most viewed articles below is updated =
weekly.</SPAN></FONT></DIV><BR></BLOCKQUOTE><DIV><BR =
class=3D"khtml-block-placeholder"></DIV>see signature section for =
website.</DIV><DIV><BR =
class=3D"khtml-block-placeholder"></DIV><DIV><BR><BLOCKQUOTE =
type=3D"cite"><IMG =
src=3D"cid:54A1FE5D-1245-4495-9380-8B6B813D5E26__chem.ucla.edu"><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; font: normal normal normal 16px/normal Arial; =
min-height: 18px; "><BR></DIV><TABLE width=3D"489.0" cellspacing=3D"0" =
cellpadding=3D"0" style=3D"width: 489.0px"><TBODY><TR><TD colspan=3D"2" =
valign=3D"top" style=3D"width: 489.0px; padding: 0.0px 5.0px 0.0px =
5.0px"><DIV style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: =
0px; margin-left: 0px; line-height: 14px; "><A =
href=3D"http://springerlink.com/openurl.asp?genre=3Darticle&id=3Ddoi:10.10=
07/s10698-005-0779-0"><FONT class=3D"Apple-style-span" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>1. Reflections About Mathematical =
Chemistry</B></SPAN></FONT></A><FONT class=3D"Apple-style-span" =
color=3D"#333333" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>=A0</B></SPAN></FONT></DIV><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; line-height: =
14px; "><SPAN class=3D"Apple-style-span" style=3D"line-height: =
14px;"><FONT class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: 12px; =
line-height: normal;">Balaban, A.T.</SPAN></FONT><FONT =
class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: 12px; =
line-height: normal;">=A0</SPAN></FONT></SPAN></DIV><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; line-height: 14px; "><FONT class=3D"Apple-style-span" =
color=3D"#333333" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: 12px;">Published Print: =
October 2005</SPAN></FONT></DIV></TD></TR></TBODY></TABLE><BR><IMG =
src=3D"cid:2DE43EDD-7CE5-49B7-8DDA-41BF8F48DD53__chem.ucla.edu"><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
normal normal normal 16px/normal Arial; min-height: 18px; =
"><BR></DIV></TD></TR></TBODY></TABLE><BR><IMG =
src=3D"cid:03A55D0B-5D7A-443A-8B75-DB6C9821FD90__chem.ucla.edu"><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
normal normal normal 16px/normal Arial; min-height: 18px; =
"><BR></DIV></TD></TR></TBODY></TABLE><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal =
normal normal 16px/normal Arial; min-height: 18px; "><BR></DIV><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; =
line-height: 14px; "><A =
href=3D"http://springerlink.com/openurl.asp?genre=3Darticle&id=3Ddoi:10.10=
07/s10698-004-2783-1"><FONT class=3D"Apple-style-span" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>2. Green Chemistry: An Innovative =
Technology</B></SPAN></FONT></A><FONT class=3D"Apple-style-span" =
color=3D"#333333" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>=A0</B></SPAN></FONT></DIV><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; line-height: =
14px; "><SPAN class=3D"Apple-style-span" style=3D"line-height: =
14px;"><FONT class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: 12px; =
line-height: normal;">Kidwai, M., Mohan, R.</SPAN></FONT><FONT =
class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: 12px; =
line-height: normal;">=A0</SPAN></FONT></SPAN></DIV><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; line-height: 14px; "><FONT class=3D"Apple-style-span" =
color=3D"#333333" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: 12px;">Published Print: =
October 2005</SPAN></FONT></DIV></TD></TR></TBODY></TABLE><BR><IMG =
src=3D"cid:5FF5F251-90FB-4D12-8442-B0B723D373BD__chem.ucla.edu"><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
normal normal normal 16px/normal Arial; min-height: 18px; =
"><BR></DIV></TD></TR></TBODY></TABLE><BR><IMG =
src=3D"cid:11D49579-9A1F-45AC-A48C-521466473FA2__chem.ucla.edu"><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
normal normal normal 16px/normal Arial; min-height: 18px; =
"><BR></DIV></TD></TR></TBODY></TABLE><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal =
normal normal 16px/normal Arial; min-height: 18px; "><BR></DIV><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; =
line-height: 14px; "><A =
href=3D"http://springerlink.com/openurl.asp?genre=3Darticle&id=3Ddoi:10.10=
07/s10698-004-5959-9"><FONT class=3D"Apple-style-span" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>3. A Revised Periodic Table: With the Lanthanides =
Repositioned</B></SPAN></FONT></A><FONT class=3D"Apple-style-span" =
color=3D"#333333" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>=A0</B></SPAN></FONT></DIV><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; line-height: =
14px; "><SPAN class=3D"Apple-style-span" style=3D"line-height: =
14px;"><FONT class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: 12px; =
line-height: normal;">Laing, M.</SPAN></FONT><FONT =
class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: 12px; =
line-height: normal;">=A0</SPAN></FONT></SPAN></DIV><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; line-height: 14px; "><FONT class=3D"Apple-style-span" =
color=3D"#333333" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: 12px;">Published Print: =
October 2005</SPAN></FONT></DIV></TD></TR></TBODY></TABLE><BR><IMG =
src=3D"cid:BAFC7043-7E63-4A61-90EE-E08C4C80F66A__chem.ucla.edu"><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
normal normal normal 16px/normal Arial; min-height: 18px; =
"><BR></DIV></TD></TR></TBODY></TABLE><BR><IMG =
src=3D"cid:EF006E8A-CB74-4DB0-8F60-66A9F31EBD0D__chem.ucla.edu"><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
normal normal normal 16px/normal Arial; min-height: 18px; =
"><BR></DIV></TD></TR></TBODY></TABLE><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal =
normal normal 16px/normal Arial; min-height: 18px; "><BR></DIV><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; =
line-height: 14px; "><A =
href=3D"http://springerlink.com/openurl.asp?genre=3Darticle&id=3Ddoi:10.10=
07/s10698-005-2141-y"><FONT class=3D"Apple-style-span" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>4. On Recent Discussion Concerning Quantum Justification of =
the Periodic Table of the Elements</B></SPAN></FONT></A><FONT =
class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>=A0</B></SPAN></FONT></DIV><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; line-height: =
14px; "><SPAN class=3D"Apple-style-span" style=3D"line-height: =
14px;"><FONT class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: 12px; =
line-height: normal;">Ostrovsky, V.</SPAN></FONT><FONT =
class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: 12px; =
line-height: normal;">=A0</SPAN></FONT></SPAN></DIV><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; line-height: 14px; "><FONT class=3D"Apple-style-span" =
color=3D"#333333" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: 12px;">Published Print: =
October 2005</SPAN></FONT></DIV></TD></TR></TBODY></TABLE><BR><IMG =
src=3D"cid:62F34B82-30B7-4F86-A73A-4A45B35BB783__chem.ucla.edu"><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
normal normal normal 16px/normal Arial; min-height: 18px; =
"><BR></DIV></TD></TR></TBODY></TABLE><BR><IMG =
src=3D"cid:D9CBFE7E-744F-4E65-AE38-1A14C5AFF5FA__chem.ucla.edu"><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
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0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
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margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: normal =
normal normal 16px/normal Arial; min-height: 18px; "><BR></DIV><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; =
line-height: 14px; "><A =
href=3D"http://springerlink.com/openurl.asp?genre=3Darticle&id=3Ddoi:10.10=
23/B:FOCH.0000034992.42777.95"><FONT class=3D"Apple-style-span" =
face=3D"Arial" size=3D"3"><SPAN class=3D"Apple-style-span" =
style=3D"font-size: 12px;"><B>5. Would Introductory Chemistry Courses =
Work Better with a New Philosophical Basis?</B></SPAN></FONT></A><FONT =
class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: =
12px;"><B>=A0</B></SPAN></FONT></DIV><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; line-height: =
14px; "><SPAN class=3D"Apple-style-span" style=3D"line-height: =
14px;"><FONT class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: 12px; =
line-height: normal;">Earley, J.E.</SPAN></FONT><FONT =
class=3D"Apple-style-span" color=3D"#333333" face=3D"Arial" =
size=3D"3"><SPAN class=3D"Apple-style-span" style=3D"font-size: 12px; =
line-height: normal;">=A0</SPAN></FONT></SPAN></DIV><DIV =
style=3D"margin-top: 0px; margin-right: 0px; margin-bottom: 0px; =
margin-left: 0px; line-height: 14px; "><FONT class=3D"Apple-style-span" =
color=3D"#333333" face=3D"Arial" size=3D"3"><SPAN =
class=3D"Apple-style-span" style=3D"font-size: 12px;">Published Print: =
September 2004</SPAN></FONT></DIV></TD></TR></TBODY></TABLE><BR><IMG =
src=3D"cid:2FB1DB87-6051-4A18-8E7A-03C9990BA337__chem.ucla.edu"><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
normal normal normal 16px/normal Arial; min-height: 18px; =
"><BR></DIV></TD></TR></TBODY></TABLE><BR><IMG =
src=3D"cid:0DFECFDF-74BD-4689-A5AB-29643EFD58E9__chem.ucla.edu"><TABLE =
width=3D"489.0" cellspacing=3D"0" cellpadding=3D"0" style=3D"width: =
489.0px"><TBODY><TR><TD colspan=3D"2" valign=3D"top" style=3D"width: =
489.0px; padding: 0.0px 5.0px 0.0px 5.0px"><DIV style=3D"margin-top: =
0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; font: =
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border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; =
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normal; letter-spacing: normal; line-height: normal; text-align: auto; =
-khtml-text-decorations-in-effect: none; text-indent: 0px; =
-apple-text-size-adjust: auto; text-transform: none; orphans: 2; =
white-space: normal; widows: 2; word-spacing: 0px; "><SPAN =
class=3D"Apple-style-span" style=3D"border-collapse: separate; =
border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; =
font-size: 16px; font-style: normal; font-variant: normal; font-weight: =
normal; letter-spacing: normal; line-height: normal; text-align: auto; =
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class=3D"Apple-style-span" style=3D"border-collapse: separate; =
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"></SPAN></SPAN></SPAN></SPAN></SPAN></SPAN></DIV><BR></BLOCKQUOTE></DIV><=
BR><DIV> <SPAN class=3D"Apple-style-span" style=3D"border-collapse: =
separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: =
Helvetica; font-size: 16px; font-style: normal; font-variant: normal; =
font-weight: normal; letter-spacing: normal; line-height: normal; =
text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: =
0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; =
white-space: normal; widows: 2; word-spacing: 0px; "><SPAN =
class=3D"Apple-style-span" style=3D"border-collapse: separate; =
border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; =
font-size: 16px; font-style: normal; font-variant: normal; font-weight: =
normal; letter-spacing: normal; line-height: normal; text-align: auto; =
-khtml-text-decorations-in-effect: none; text-indent: 0px; =
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white-space: normal; widows: 2; word-spacing: 0px; "><SPAN =
class=3D"Apple-style-span" style=3D"border-collapse: separate; =
border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; =
font-size: 16px; font-style: normal; font-variant: normal; font-weight: =
normal; letter-spacing: normal; line-height: normal; text-align: auto; =
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-apple-text-size-adjust: auto; text-transform: none; orphans: 2; =
white-space: normal; widows: 2; word-spacing: 0px; "><SPAN =
class=3D"Apple-style-span" style=3D"border-collapse: separate; =
border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; =
font-size: 16px; font-style: normal; font-variant: normal; font-weight: =
normal; letter-spacing: normal; line-height: normal; text-align: auto; =
-khtml-text-decorations-in-effect: none; text-indent: 0px; =
-apple-text-size-adjust: auto; text-transform: none; orphans: 2; =
white-space: normal; widows: 2; word-spacing: 0px; "><SPAN =
class=3D"Apple-style-span" style=3D"border-collapse: separate; =
border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; =
font-size: 16px; font-style: normal; font-variant: normal; font-weight: =
normal; letter-spacing: normal; line-height: normal; text-align: auto; =
-khtml-text-decorations-in-effect: none; text-indent: 0px; =
-apple-text-size-adjust: auto; text-transform: none; orphans: 2; =
white-space: normal; widows: 2; word-spacing: 0px; "><SPAN =
class=3D"Apple-style-span" style=3D"border-collapse: separate; =
border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; =
font-size: 16px; font-style: normal; font-variant: normal; font-weight: =
normal; letter-spacing: normal; line-height: normal; text-align: auto; =
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-apple-text-size-adjust: auto; text-transform: none; orphans: 2; =
white-space: normal; widows: 2; word-spacing: 0px; "><DIV>Dr. Eric =
Scerri</DIV><DIV>Department of Chemistry &amp; =
Biochemistry,</DIV><DIV>Charles Young Drive,</DIV><DIV>Los =
Angeles,</DIV><DIV>CA 90095.</DIV><DIV><BR =
class=3D"khtml-block-placeholder"></DIV><DIV>310 206 7443</DIV><DIV>fax: =
310 206 2061</DIV><DIV><BR =
class=3D"khtml-block-placeholder"></DIV><DIV>UCLA faculty web page:=A0=A0=A0=
<A href=3D"http://www.chem.ucla.edu/dept/Faculty/scerri/"><FONT =
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">http://www.chem.ucla.edu/dept/Faculty/scerri/</SPAN></SPAN></FONT></A></=
DIV><DIV><BR class=3D"khtml-block-placeholder"></DIV><DIV>Editor of =
Foundations of Chemistry,</DIV><DIV style=3D"margin-top: 0px; =
margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><A =
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tailsPage%253Djournal%257CmostViewedArticles%257CmostViewedArticles,00.htm=
l</SPAN></SPAN></SPAN></A></DIV><DIV><BR =
class=3D"khtml-block-placeholder"></DIV><DIV>International Society for =
the Philosophy of Chemistry,</DIV><DIV><A =
href=3D"http://ispc.sas.upenn.edu">http://ispc.sas.upenn.edu</A>/</DIV><DI=
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