From owner-chemistry@ccl.net Wed Sep 13 04:26:01 2017 From: "Michel Petitjean petitjean.chiral . gmail.com" To: CCL Subject: CCL: Defining chirality Message-Id: <-52999-170913042326-20933-M95F/OB8WrmoBhIMhf+GmA-*-server.ccl.net> X-Original-From: Michel Petitjean Content-Type: text/plain; charset="UTF-8" Date: Wed, 13 Sep 2017 10:23:17 +0200 MIME-Version: 1.0 Sent to CCL by: Michel Petitjean [petitjean.chiral,+,gmail.com] Dear CCLers, Until now, I could not find a mathematical definition of chirality. Only informal definitions of chirality were available. E.g., "figure", "molecule", "superposition", etc., are not mathematical terms. Undoubtly we all know what is chirality, but there is a surprising result: chirality can be defined in metric spaces without invoking the orientation concept (no Euclidean structure is required). Ref: "Chirality in metric spaces. In memoriam Michel Deza", Optim. Letters, 2017 (doi 10.1007/s11590-017-1189-7). Of course the general definition given in this paper recovers the intuitive one in the Euclidean case. However, it is a full mathematical definition, not an informal one. If you find an other mathematical definition of chirality, please tell me where. Thank you. 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 http://petitjeanmichel.free.fr/itoweb.petitjean.symmetry.html From owner-chemistry@ccl.net Wed Sep 13 06:30:00 2017 From: "Sebastian Kozuch seb.kozuch]*[gmail.com" To: CCL Subject: CCL: Defining chirality Message-Id: <-53000-170913062840-4783-chjM0vYTokOBhghanI67Lg/./server.ccl.net> X-Original-From: Sebastian Kozuch Content-Language: en-US Content-Transfer-Encoding: 8bit Content-Type: text/html; charset=utf-8 Date: Wed, 13 Sep 2017 13:28:29 +0300 MIME-Version: 1.0 Sent to CCL by: Sebastian Kozuch [seb.kozuch]*[gmail.com] Hi Michel,
I recommend you look on the long list of publications of David Avnir (http://chem.ch.huji.ac.il/avnir/p_symmetry.html)

Best,
Sebastian

On 13/09/2017 11:23, Michel Petitjean petitjean.chiral . gmail.com wrote:
Sent to CCL by: Michel Petitjean [petitjean.chiral,+,gmail.com]
Dear CCLers,

Until now, I could not find a mathematical definition of chirality.
Only informal definitions of chirality were available.
E.g., "figure", "molecule", "superposition", etc., are not mathematical terms.

Undoubtly we all know what is chirality, but there is a surprising
result: chirality can be defined in metric spaces without invoking the
orientation concept (no Euclidean structure is required).

Ref: "Chirality in metric spaces. In memoriam Michel Deza", Optim.
Letters, 2017 (doi 10.1007/s11590-017-1189-7).

Of course the general definition given in this paper recovers the
intuitive one in the Euclidean case.
However, it is a full mathematical definition, not an informal one.
If you find an other mathematical definition of chirality, please tell me where.
Thank you.

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
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-- 
═════════════════════════════════════
          Sebastian Kozuch
═════════════════════════════════════
       Department of Chemistry
 Ben-Gurion University of the Negev 
          Beer Sheva, Israel
           kozuch#bgu.ac.il
    http://www.bgu.ac.il/~kozuch
═════════════════════════════════════
From owner-chemistry@ccl.net Wed Sep 13 07:43:00 2017 From: "Michel Petitjean petitjean.chiral=gmail.com" To: CCL Subject: CCL: Defining chirality Message-Id: <-53001-170913074014-8121-Fd0iIj5/vXirgw/6E0RDpQ*|*server.ccl.net> X-Original-From: Michel Petitjean Content-Type: text/plain; charset="UTF-8" Date: Wed, 13 Sep 2017 13:40:07 +0200 MIME-Version: 1.0 Sent to CCL by: Michel Petitjean [petitjean.chiral!^!gmail.com] Dear Sebastian, Yes I know the work of David Avnir. Alas his work is about chirality measures (CSM, CCM, folding-unfolding process, etc.), it is not about the definition of chirality, and in my opinion both CSM, CCM and related theories offer a clear lack of generality. Most of the papers of the long list are just applications of CCM and CSM published in chemistry journals. More details can be found in my Open Access review in: Entropy, 2003, 5[3], 271-312. DOI 10.3390/e5030271 For a chirality measure applicable in a variety of situations, you may have a look to my web site (and refs cited): http://petitjeanmichel.free.fr/itoweb.petitjean.html http://petitjeanmichel.free.fr/itoweb.petitjean.skewness.html Thank you for the pointer. Best regards, 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.symmetry.html 2017-09-13 12:28 GMT+02:00 Sebastian Kozuch seb.kozuch]*[gmail.com : > Sent to CCL by: Sebastian Kozuch [seb.kozuch]*[gmail.com] > Hi Michel, > I recommend you look on the long list of publications of David Avnir > (http://chem.ch.huji.ac.il/avnir/p_symmetry.html) > > Best, > Sebastian > From owner-chemistry@ccl.net Wed Sep 13 10:44:01 2017 From: "Beno t O.S. BRA DA benoit.braida]~[upmc.fr" To: CCL Subject: CCL: Special Issue on (E)VB theory Message-Id: <-53002-170913104215-11469-649+SGeSnMg7xjj54dssgw/a\server.ccl.net> X-Original-From: "Beno t O.S. BRA DA" Date: Wed, 13 Sep 2017 10:42:13 -0400 Sent to CCL by: "Beno t O.S. BRA DA" [benoit.braida=upmc.fr] Dear colleagues, It is my great pleasure to announce the recent publication of a special issue entitled: Understanding Chemistry and Biochemistry Using Computational Valence Bond Theory which appeared in Vol. 1116 of Computational and Theoretical Chemistry. The whole issue is available electronically on Science Direct at the following link: http://www.sciencedirect.com/science/journal/2210271X/1116/supp/C?dgcid=raven_sd_via_email&sdc=1 If you do not have access to this journal but you wishes to read the pdf some of the papers published in this SI, please send an email to the corresponding authors of those articles, as they have the right up to this September 28th to download and distribute the pdf of his paper. With my best wishes, Benot Brada