From chemistry-request "-at-" ccl.net Wed Jan 19 04:52:49 2005 Received: from smtp.uibk.ac.at (lmr1.uibk.ac.at [138.232.1.142]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id j0J9qkhr008081 for ; Wed, 19 Jan 2005 04:52:47 -0500 Received: from uibk.ac.at (yy1-c724.uibk.ac.at [138.232.32.48]) by smtp.uibk.ac.at (8.12.11/8.12.11/F1) with ESMTP id j0J9qiFQ026793 for ; Wed, 19 Jan 2005 10:52:45 +0100 Message-ID: <41EE2DEC.9030100.-at-.uibk.ac.at> Date: Wed, 19 Jan 2005 10:52:44 +0100 From: Demetrios Xenides Reply-To: Demetrios.Xenides.-at-.uibk.ac.at User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.4) Gecko/20030624 Netscape/7.1 X-Accept-Language: en-us, en MIME-Version: 1.0 To: chemistry.-at-.ccl.net Subject: Re: CCL:orbitals and reality References: <7E64C424A9A62B4592CC505FD28982074A4348.-at-.KC-MAIL6.kc.umkc.edu> In-Reply-To: <7E64C424A9A62B4592CC505FD28982074A4348.-at-.KC-MAIL6.kc.umkc.edu> Content-Type: multipart/alternative; boundary="------------070407000201000703090906" X-Spam-Score: -2.0 () HTML_20_30,HTML_MESSAGE,HTML_TITLE_EMPTY,RCV_SMTP_UIBK X-Scanned-By: MIMEDefang 2.42 at uibk.ac.at X-Spam-Status: No, hits=1.0 required=7.5 tests=HTML_20_30,HTML_MESSAGE, HTML_TITLE_EMPTY,SMILEY autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net This is a multi-part message in MIME format. --------------070407000201000703090906 Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit Wouldn't also be a good idea to see something published (comment or another paper) by the guy (Sengen Sun) who has started the discussion? If he is so very much determined that the authors have not made an important step forward on the (possible) mapping of MOs then his comments would be highly appreciated by the "misleaded" scientific community. Cheers Demetrios p.s. respect to the people who not only performed a study but they published it as well. >From: Computational Chemistry List on behalf of Sengen Sun >Sent: Mon 1/17/2005 4:46 PM >To: chemistry.-at-.ccl.net >Subject: CCL:orbitals and reality > > > > >I have been asked to make a summary on this year >discussion on this subject. I received responces from >10 this year. 3 of them are neutral, 5 agree, and 2 >disagree. I am specially interested in the >disagreements and therefore post them here. I would >think the first one might be meaningful. And we will >have to see. > >I would be much happier if Mikael P Johansson and any >one else could also critisize my earlier postings on >the List as well :-). Here are two examples: > >http://www.ccl.net/cgi-bin/ccl/message.cgi?2003+07+28+001; > >http://www.ccl.net/cgi-bin/ccl/message.cgi?2003+06+02+016; > >The second disagreement is not specific enough. But I >will address it later after Mikael P Johansson's next >message or posting. > >Cheers! > >Sengen > >--- Mikael P Johansson >wrote: > > > > >>Well, if it helps, I disagree with you :-) I will >>write up a "pro-orbital" >>mail for CCL as soon as my work load permits. >> >>Happy New Year, >> Mikael J. >> http://www.helsinki.fi/~mpjohans/ >> >> > > > >--- (+ at +)yahoo.com> wrote: > > > >>Hello Dr. Sun, >> >>It's interesting to see your posts about that paper. >> >> >>Since I am very busy I have not read the details of >>the paper. However it >>looks like what they did in the paper is very >>important and meaningful. >> >>I think they derived some information about the >>orbital from experiments >>and data analysis, similar to the X-ray data >>analysis in some sense. Also >>they mentioned that the phase component of the wave >>function is arbitary. >>Very likely they derived the real part or the >>imaginative part, or at >>least some of either. So it's still very meaningful >> >> >> > > > > > > > > > >__________________________________ >Do you Yahoo!? >Yahoo! Mail - 250MB free storage. Do more. Manage less. >http://info.mail.yahoo.com/mail_250 > > > >Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST.-at-.ccl.net >HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > > > > > > > > > > >-= This is automatically added to each message by the mailing script =- >To send e-mail to subscribers of CCL put the string CCL: on your Subject: line >and send your message to: CHEMISTRY.-at-.ccl.net > >Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST.-at-.ccl.net >HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > >If your mail is bouncing from CCL.NET domain send it to the maintainer: >Jan Labanowski, jlabanow.-at-.nd.edu (read about it on CCL Home Page) >-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > > > > > --------------070407000201000703090906 Content-Type: text/html; charset=us-ascii Content-Transfer-Encoding: 7bit Wouldn't also be a good idea to see something published (comment or another paper) by the guy (Sengen Sun) who has started the discussion? If he is so very much determined that the authors have not made an important step forward on the (possible) mapping of MOs then his comments would be highly appreciated by the "misleaded" scientific community.

Cheers
Demetrios

p.s. respect to the people who not only performed a study but they published it as well.



From: Computational Chemistry List on behalf of Sengen Sun
Sent: Mon 1/17/2005 4:46 PM
To: chemistry.-at-.ccl.net
Subject: CCL:orbitals and reality 




I have been asked to make a summary on this year
discussion on this subject. I received responces from
10 this year. 3 of them are neutral, 5 agree, and 2
disagree. I am specially interested in the
disagreements and therefore post them here. I would
think the first one might be meaningful. And we will
have to see.

I would be much happier if Mikael P Johansson and any
one else could also critisize my earlier postings on
the List as well :-). Here are two examples:

http://www.ccl.net/cgi-bin/ccl/message.cgi?2003+07+28+001;

http://www.ccl.net/cgi-bin/ccl/message.cgi?2003+06+02+016;

The second disagreement is not specific enough. But I
will address it later after Mikael P Johansson's next
message or posting.

Cheers!

Sengen
 
--- Mikael P Johansson <mikael.johansson.-at-.helsinki.fi>
wrote:


  
Well, if it helps, I disagree with you :-) I will
write up a "pro-orbital"
mail for CCL as soon as my work load permits.

Happy New Year,
    Mikael J.
    http://www.helsinki.fi/~mpjohans/
    

  
---  #at# yahoo.com> wrote:

  
Hello Dr. Sun,

It's interesting to see your posts about that paper.


Since I am very busy I have not read the details of
the paper. However it
looks like what they did in the paper is very
important and meaningful.

I think they derived some information about the
orbital from experiments
and data analysis, similar to the X-ray data
analysis in some sense. Also
they mentioned that the phase component of the wave
function is arbitary.
Very likely they derived the real part or the
imaginative part, or at
least some of either.  So it's still very meaningful

    

  





               
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