From ragno@naxos.caspur.it Mon Feb 10 03:22:09 1997 Received: from mail.caspur.it for ragno@naxos.caspur.it by www.ccl.net (8.8.3/950822.1) id CAA05065; Mon, 10 Feb 1997 02:40:04 -0500 (EST) Received: from naxos.caspur.it (naxos.caspur.it [193.204.5.8]) by mail.caspur.it (8.8.4/8.8.4) with ESMTP id IAA17164; Mon, 10 Feb 1997 08:39:59 +0100 Received: from localhost (ragno@localhost) by naxos.caspur.it (8.8.4/8.8.4) with SMTP id IAA15765; Mon, 10 Feb 1997 08:40:02 +0100 (MET) Date: Mon, 10 Feb 1997 08:40:02 +0100 (MET) From: Gianluca Sbardella To: ANCHODD , Structural NMR Mail List , chemistry@www.ccl.net cc: r.ragno@caspur.it Subject: Mailinglist for organic chemistry? (fwd) Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=ISO-8859-1 Content-Transfer-Encoding: QUOTED-PRINTABLE Dear Netters, I'm forwarding the following message to a few Mailing lists. I apologise for the repetition, but I believe someone will find it useful. Bye, Gianluca Sbardella *************************************************************** * * * Dr. Gianluca Sbardella E-mail: r.ragno@caspur.it * * Dip. Studi Farmaceutici * * Universita' "La Sapienza" Phone: 39-6-49913814 * * P.le A. Moro, 5 Fax: 39-6-491491 * * 00185 Roma * * ITALY * * * * * * "Il destino e' quel che e', non c'e' scampo piu' per me.." * * (Gene Wilder, "Frankenstein Junior") * * * * * *************************************************************** ---------- Forwarded message ---------- Date: Sun, 09 Feb 1997 00:20:00 -0100 From: Ralph Puchta To: r.ragno@caspur.it, Dirk.Kessler@t-online.de, krabbem@rznovser.rz.fh-osnabrueck.de, natural@imap1.asu.edu, david.bostwick@chemistry.gatech.edu Cc: "Matthias Gr=3D?iso-8859-1?Q?=3DE4ter (GWUP)" , puchta@gwup.org?=3D Subject: Mailinglist for organic chemistry? Hello, there were two discussions on the net during the last weeks. a) Is the mailinglist OrgChem still "alive"? b) How can we get a group sci.chem.organic? As both tools should do the same job, why not trying to get a new mailing= =20 list -=20 that is easier and faster as creating a newsgroup. After talking to the GWUP=B4s chairman, I got the permission that a free=20 unmoderated mailing list for orcanic chemistry may be created at the GWUP=B4s server,= =20 if there is enough interest.=20 How could we start? Please, if you are interested in this mailing list write an e-mail to me. puchta@gwup.org The GWUP=B4s sysop will add your address.=20 What idees do you have? Please let me know your wishes, it will be OUR=20 mailinglist. - I think the language should be English, or would German be possible?=20 - What name should it get? oc@gwup.org OrgChem@gwup.org Org.Chem@gwup.org organic@gwup.org - Should we restrict the subjects to synthetic questions? I would prefer=20 no. - ??? Please share this information with your friends, perhaps they are=20 interested, too. If this list will work, or not, it depends on us. :-) =20 I am shure you wonder, who the GWUP is. The GWUP is the German sceptical=20 society,=20 for more informations please try http://www.gwup.org. Many greetings from Bavaria=20 Ralph Puchta=20 (Puchta@GWUP.org) "I know that I will never be politically correct. I don't give a damm about my lack of etiquette." Cascade: http://www.mi.uni-erlangen.de/~dosche/casihp.htm GWUP: http://www.gwup.org NAA: http://www.naa.net From ccl@www.ccl.net Mon Feb 10 06:22:10 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id FAA10378; Mon, 10 Feb 1997 05:22:46 -0500 (EST) Received: from faui45.informatik.uni-erlangen.de for model97@organik.uni-erlangen.de by bedrock.ccl.net (8.8.3/950822.1) id FAA26106; Mon, 10 Feb 1997 05:22:45 -0500 (EST) Received: from derioc1.organik.uni-erlangen.de (derioc1.organik.uni-erlangen.de [131.188.128.1]) by uni-erlangen.de with SMTP id LAA18129 (8.7.6/7.5c-FAU); Mon, 10 Feb 1997 11:18:54 +0100 (MET) Received: from indigo11.organik.uni-erlangen.de (indigo11.organik.uni-erlangen.de [131.188.128.69]) by organik.uni-erlangen.de with SMTP id LAA28123 (8.6.12/7.4f-FAU);; Mon, 10 Feb 1997 11:18:09 +0100 Date: Mon, 10 Feb 1997 11:18:08 +0100 (MET) From: "Modelling '97" To: chem-com@mailbase.ac.uk, chem-mod@mailbase.ac.uk, chemistry@ccl.net, ipmdg-l@venus.co.uk, watoc@ic.ac.uk, amber@cgl.ucsf.edu, c2-l@msi.com, cache@pacificu.edu, charmm-bbs@emperor.harvard.edu, hyperchem@hyper.com, mmodinfo@uoft02.utoledo.edu, quanta-l@msi.com, sybyl@extreme.chem.rpi.edu Subject: Modelling '97 Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Model(l)ing '97 Model(l)ing '97 is the annual international meeting of the MGMS, which is being organised in cooperation with WATOC for the first time. The meeting will take place from Tuesday, September 2nd to Friday September 5th 1997 at the Institut fuer Organische Chemie and the Computer-Chemie-Centrum of the Universitaet Erlangen-Nuernberg in Erlangen, Germany. All lectures except for those on Wednesday, September 3rd are by invitation. Wednesday's sessions have been reserved for submitted lectures by young scientists (postdocs or non-tenured academic staff), who are invited to submit their contributions as outlined below. Two parallel sessions will emphasise biological/ pharmaceutical methods and applications (Session A) and calculational methodology and non-biological applications (Session B). Conference fees are as follows: MGMS or WATOC members non-members Normal particpant: before 1.6.97 DM 400.- DM 500.- after 1.6.97 DM 550.- DM 650.- Student participants: before 1.6.97 DM 200.- DM 250.- after 1.6.97 DM 275.- DM 325.- Program and registration details are available from: Dr. T. Clark Model(l)ing '97 Computer-Chemie-Centrum Naegelsbachstraae 25 D-91052 Erlangen Germany Email: model97@organik.uni-erlangen.de FAX: +49-(0)9131-856565 URL: http://www.organik.uni-erlangen.de/model97/ From ccl@www.ccl.net Mon Feb 10 10:22:13 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id JAA11663; Mon, 10 Feb 1997 09:23:36 -0500 (EST) Received: from ms532u02.u-3mrs.fr for sophie@ms532u02.u-3mrs.fr by bedrock.ccl.net (8.8.3/950822.1) id JAA29611; Mon, 10 Feb 1997 09:23:30 -0500 (EST) From: Received: by ms532u02.u-3mrs.fr (AIX 3.2/UCB 5.64/4.03) id AA18254; Mon, 10 Feb 1997 15:25:23 +0100 Message-Id: <9702101425.AA18254@ms532u02.u-3mrs.fr> Subject: Meeting annoucement in Catalysis Modelling To: chemistry@ccl.net Date: Mon, 10 Feb 1997 15:25:22 +0100 (NFT) X-Mailer: ELM [version 2.4 PL23alpha2] Content-Type: text Hello, I forward the subscription of a meeting which is organised in Marseille, France Note that the conferences will be in French :) Hope many of you will understand :) Cordially Philippe Camelio Lab. de Stereochimie Marseille, France > > _________________________________________________ > 2eme JOURNEE DE CHIMIE NUMERIQUE > de Marseille - Saint-Jerome > > "Etudes Theoriques des Processus Catalytiques: > Methodologies et Validations Experimentales" > > 2 Avril 1997 > > Faculte des Sciences de Saint-Jerome > Universite d'Aix-Marseille > _________________________________________________ > > Organisateurs: > > Frederic FOTIADU, Veronique LAZZERI, Michel RAJZMANN > Groupe de Chimie Numerique du Complexe de Calcul de Saint-Jerome > > Sylvain CLEMENDOT > Centre de Recherche TOTAL-Harfleur > > > > La modelisation moleculaire intervient desormais a part entiere dans > la Recherche fondamentale autant qu'appliquee. Un des domaines les > plus demandeurs de telles approches theoriques est sans doute l'etude > de reactions chimiques dans lesquelles intervient un catalyseur, que ce > soit en phase homogene ou heterogene. Devant les attentes des chercheurs > en matiere d'interpretation theorique de leurs resultats experimentaux, > et compte-tenu du grand nombre d'approches possibles > - allant des calculs ab-initio a la mecanique moleculaire - > nous nous proposons de faire le point sur ces activites en plein essor. > L'accent sera mis, lors de la Journee Thematique du 2 avril 1997, sur > les elements de validation de la simulation numerique par l'experience. > > Cette journee a pour objectif de reunir differents intervenants > francophones, industriels et academiques, travaillant dans le domaine > de la catalyse homogene et heterogene afin qu'ils puissent confronter > leur savoir-faire et leurs approches methodologiques. > Des exposes de synthese d'environ 30 minutes des conferenciers invites > seront suivis de discussion ouvertes permettant de faire ressortir les > principaux problemes rencontres par chacun lors du choix de la methode > de calcul et de sa mise en oeuvre, ou lors de la confrontation des > resultats theoriques avec ceux de l'experience, ainsi que les resultats > prometteurs obtenus. Enfin, le dialogue que nous esperons etablir entre > "Theoriciens et experimentateurs" devrait permettre de donner quelques > orientations de developpements methodologiques incontournables pour > faire de la simulation numerique un outil aussi performant que les > moyens analytiques les plus modernes. > > Cette Journee Thematique de Chimie Numerique etant organisee sous forme > d'un groupe de travail, le nombre de participants est limite a une > cinquantaine de personnes. > > > > PROGRAMME DES CONFERENCES > > "Hydrodesulfuration par les sulfures des metaux de transition: apports > recents de la modelisation." > Herve Toulhoat (IFP). > > "Simulation numerique des proprietes de fluides adsorbes dans des solides > poreux. Comparaison avec l'experience." > Alain Fuchs (Universite d'Orsay). > > "Modelisation des proprietes physico-chimiques des zeolithes par > mecanique quantique (reactivite, affinite protonique, RMN...)." > Annick Goursot (Universite de Montpellier). > > "Modelisation des proprietes de diffusion dans les zeolithes." > Daniel Vercauteren (Universite de Namur, Belgique). > > "Complementarite entre simulation et caracterisation physico-chimique." > Eric Wimmer (MSI). > > "Etude Theorique de l'hydrogenation de CO2 en acide formique catalysee > par des complexes de Rhodium." > Alain Dedieu (Universite de Strasbourg). > > "Etude de la reaction de cycloaddition (2+2) catalysee par un acide > de Lewis." > Jean-Marc Pons, Michel Rajzmann (Universite d'Aix-Marseille). > > > > MODALITES PRATIQUES > > Elles seront fournies dans la deuxieme circulaire. > > > > > > > > Vous trouverez ci joint le bulletin d'inscription: > > _______________________________________________ > Bulletin d' inscription > > "Etudes Theoriques des Processus Catalytiques: > Methodologies et Validations Experimentales" > > 2 Avril 1997 > > Faculte des Sciences de Saint-Jerome > Universite d'Aix-Marseille > > _______________________________________________ > > INSCRIPTION : Les frais d'inscription sont de: > - 500F pour les chercheurs academiques, > - 1000F pour les industriels. > > Ils doivent ETRE regles a l'ORDRE DE L'A.D.P.C.M. > (Association pour le Developpement de la Physico-Chimie et de la Modelisation) > Par cheque bancaire ou postal libelle a l'ordre de : A.D.P.C.M. > expedie a l'adresse suivante avec votre bulletin d'inscription > > A.D.P.C.M. > Michel RAJZMANN > AM3, case 561 > Faculte des Sciences de Saint-Jerome, > Av. Escadrille Normandie-Niemen > 13397 MARSEILLE cedex 20 > > UN RECU VOUS SERA RETOURNE DES RECEPTION DE VOTRE REGLEMENT > > > Tel.: 04 91 28 80 05 / FAX : 04 91 58 19 77 > ------------------------ > Bulletin d'inscription a retourner accompagne de votre reglement a > l'adresse indiquee ci-dessus IMPERATIVEMENT avant le 22 MARS 1997 > > Nom : Mr / Mme / Mlle > ........................................................................ > ...... > Prenom : ............................................................... > > PATICIPERA A LA 2eme JOURNEE DE CHIMIE NUMERIQUE > > Organisme : > ........................................................................ > ........................................................................ > ........................................................................ > Adresse : > ........................................................................ > ........................................................................ > Tel. : > FAX : > e-mail : > > ------------------------------------------ > Michel RAJZMANN > AM3, case 561 > Faculte des Sciences de Saint-Jerome, > Av. Escadrille Normandie-Niemen > 13397 MARSEILLE cedex 20 > Tel. 04 91 28 80 05 > Fax 04 91 58 19 77 > Email lcimmr @ vmesa12.u-3mrs.fr > ------------------------------------------ > > From school@kate.fisato.uv.es Mon Feb 10 10:22:22 1997 Received: from kate.fisato.uv.es for school@kate.fisato.uv.es by www.ccl.net (8.8.3/950822.1) id KAA22574; Mon, 10 Feb 1997 10:18:52 -0500 (EST) Message-Id: <199702101518.KAA22574@www.ccl.net> Received: by kate.fisato.uv.es (1.39.111.2/16.2) id AA221647109; Mon, 10 Feb 1997 15:05:09 GMT From: QMBT School Subject: PLEASE, DISSEMINATE THIS ANNOUNCEMENT To: chemistry@www.ccl.net Date: Mon, 10 Feb 1997 15:05:09 WET X-Mailer: Elm [revision: 111.1] \documentstyle[11pt]{article} \textheight 24cm \headsep 2.cm \topmargin -3.cm \textwidth 17.5cm \oddsidemargin -0.46cm \evensidemargin 0.46cm \begin{document} \begin{center} {\Large {\bf EUROPEAN SUMMER SCHOOL ON \\ MICROSCOPIC QUANTUM MANY-BODY THEORIES \\ AND THEIR APPLICATIONS} \vspace{0.2truecm} Valencia (Spain), 8-19 September 1997 } \end{center} \vspace{0.5cm} \noindent {\bf Organizing Committee:} J. Navarro (Valencia, Spain), and A. Polls (Barcelona, Spain). \noindent {\bf Advisory Committee:} J. Arponen (Helsinki, Finland), R.F. Bishop (Manchester, UK), J.W. Clark (St. Louis, USA), S. Fantoni (Trieste, Italy), P. Fulde (Stuttgart, Germany), R. Guardiola (Valencia, Spain), A. Kallio (Oulu, Finland), E. Krotscheck (Linz, Austria), C. Lhuillier (Paris, France), I. Lindgren (G\"oteborg, Sweden), E. Mavrommatis (Athens, Greece), V.R. Pandharipande (Urbana, USA), J. da Provid\^encia (Coimbra, Portugal), M.L. Ristig (K\"oln, Germany) S. Rosati (Pisa, Italy). \noindent {\bf Sponsored by:} Commission of the European Community (TMR Program). Universidad Internacional Men\'endez Pelayo en Valencia. Instituci\'o Valenciana d'Estudis i Investigaci\'o. IFIC (Centro Mixto CSIC Universidad de Valencia). Universidad de Valencia. \section{GENERAL INFORMATION} Nowadays Quantum Many-Body Theory (QMBT) has become an essential tool for all physicists. By its very nature the field is interdisciplinary, and its aims are of paramount importance in almost all areas of modern physical science and materials research. Simply stated, they are to understand and predict the emergent properties of macroscopic matter of all kinds, which have their underlying origins in the fundamental interactions between, and the quantum-mechanical nature of, the elementary constituents at the most microscopic level relevant to the energy range under consideration. The rapid evolution of the different formulations of QMBT over the last decade, together with a serious lack of reference books on the most recent developments, has provided the clear rationale defining the main objectives of the proposed Summer School. Thus we intend to provide both a general overview of QMB problems and modern theories available to understand them at the fully microscopic level, and some selected in-depth applications to physical systems of current intense worldwide interest. The motivation for and the logistical structure of this Summer School have emerged naturally from the European Research Network in {\it Microscopic Quantum Many-Body Theory: Applications to Traditional and Novel Forms of Matter}, which is presently being funded by the EC within the framework of the Human Capital and Mobility Programme. The Advisory Committee has been chosen to provide a broad cross-section of important groups working in the fields covered by the School. We therefore expect that the School will be widely advertised, that the community will welcome its organisational arrangements, and that its success will be guaranteed. The School is addressed to pre-doctoral and recent post-doctoral researchers (typically all under 35 years in age). The number of assistents is limited to a maximum of 60 students. In the eventual selection process, preference will be given to those applicants resorting from target groups as established by the European Commission directives. The cost per participant (double room accomodation with full board in a centric 3* Hotel) will be approximately 100,000 Pta, plus a registration fee of 25,000 Pta. The organizers can provide some support from the Commission of the European Communities (Training and Mobility of Researchers Programme) to participants from a Member State of the Community or from an Associated State. This support covers travel and/or hotel and boarding expenses. \section{PROGRAMME} The selected main topics for this School are: {\bf The Coupled Cluster Method}, {\bf Correlated Basis Function Theory} and {\bf Monte Carlo Methods}. These particular topics have been chosen since they are widely recognized to be among the available formulations of QMBT providing powerful techniques, widely applicable and numerically accurate at the present attainable levels of implementation. Furthermore, the future evolution of the field depends to a large measure on the possibility to establish links between these different methods, and especially to devise hybrid procedures that can build even further upon the huge strengths and already great advantages of each theory. One of the main objectives of the School will be to present the topics in such a way that the participants are motivated to imagine and discuss with the experts the future developments and applications of the field. \subsection*{LECTURERS AND TOPICS} \begin{itemize} \item{} R.F. Bishop (Manchester, UK): {\it The Coupled Cluster Method} (12h). \item{} J. Boronat (Barcelona, Spain): {\it Diffusion Monte Carlo for excited states of liquid Helium} (2h) \item{} A. Fabrocini (Pisa, Italy): {\it Some applications of correlated basis functions theory in finite and infinite nuclear systems} (2h) \item{} S. Fantoni (Trieste, Italy): {\it Fermi Hypernetted Chain and Correlated Basis Function Theories for homogeneous Fermi liquids} (10h) \item{} R. Guardiola (Valencia, Spain): {\it Monte Carlo Methods} (12h) \item{} U. Kaldor (Tel Aviv): {\it Application of Coupled Cluster Methods to atoms and molecules} (2h) \item{} E. Krotscheck (Linz, Austria): {\it Variational studies in inhomogeneous systems} (3h), {\it Variational calculations at finite temperature} (3h) \item{} D. Mukherjee (Calcutta, India): {\it Non-perturbative Cluster Cumulant formalisms for finite temperature systems} (2h) \item{} S.C. Pieper (Argonne, USA): {\it Monte Carlo calculations of nuclei} (2h) \item{} J.P. Toennies (Gottingen, Germany): {\it Recent and future experiments on Helium clusters} (2h) \end{itemize} \vspace{2truecm} \begin{center} {\large {\bf DEADLINE FOR SUBMISSION OF APPLICATIONS: \\ MARCH 30th 1997} \vspace{0.5truecm} Electronic Application at {\bf http://www.uv.es/qmbt}} \end{center} \newpage \begin{center} {\bf EUROPEAN SUMMER SCHOOL ON \\ MICROSCOPIC QUANTUM MANY-BODY THEORIES \\ AND THEIR APPLICATIONS} Valencia (Spain), 8-19 September 1997 \end{center} \vspace{0.5truecm} \centerline{\Large {\bf APPLICATION FORM}} \vspace{0.5truecm} Name and Surname Mr./Mrs./Ms. {\dotfill} Age {\dotfill} Nationality {\dotfill} %\vspace{0.7truecm} Affiliation {\dotfill} \mbox{}{\dotfill} Mailing Address {\dotfill} \mbox{}{\dotfill} \mbox{}{\dotfill} City {\dotfill} Postal Code {\dotfill} Country {\dotfill} Telephone {\dotfill} Telefax {\dotfill} E-mail {\dotfill} %\vspace{0.7truecm} Graduation date: {\dotfill} University: {\dotfill} PhD Graduation date: {\dotfill} University: {\dotfill} \vspace{0.5truecm} \noindent Please, attach a brief Curriculum Vitae since graduation, including a list of your scientific publications. \noindent Pre-doctoral students should also send a recommendation letter from their Supervisor or Department Head. \vspace{0.5truecm} \noindent The organizers can provide some support from EU (Training and Mobility Researchers Program), to cover travel and/or hotel and boarding expenses for participants coming from EU countries. The following items are to be answered only by citizens from a member or associated state of the European Union. \begin{itemize} \item{} Do you wish to apply for hotel and boarding support?. \makebox[2truecm][l]{Yes \dotfill}\makebox[2truecm][l]{No \dotfill} \item{} Do you wish to apply for travel support?. \makebox[2truecm][l]{Yes \dotfill}\makebox[2truecm][l]{No \dotfill} \\ Estimated costs of travel from your Institution City to Valencia (using most economical air or second class train fare) \makebox[4truecm][r]{\dotfill}(in Pta or ECU) \end{itemize} \vspace{0.5truecm} Date {\dotfill} Signature {\dotfill} \vspace{1truecm} { {\bf PLEASE RETURN NOT LATER THAN MARCH 30th 1997 to:}} \vspace{0.5truecm} {\small \hspace{2truecm} \makebox[5.5truecm][l]{J. Navarro} \hspace{1.5truecm} \makebox[5truecm][l]{E-mail : navarroj@uv.es} \hspace{2truecm} \makebox[5.5truecm][l]{IFIC} \hspace{1.5truecm} \makebox[5truecm][l]{http://www.uv.es/qmbt} \hspace{2truecm} \makebox[5.5truecm][l]{Facultad de F\'{\i}sica} \hspace{1.5truecm} \makebox[5truecm][l]{Telefax : + 34 6 386 4583} \hspace{2truecm} \makebox[5.5truecm][l]{Avda. Dr. Moliner, 50} \hspace{1.5truecm} \makebox[5truecm][l]{Telephone : + 34 6 386 4578} \hspace{2truecm} \makebox[5.5truecm][l]{E-46.100 Burjassot (Valencia)} } \end{document} From tank@chem.nul.ls Mon Feb 10 14:22:15 1997 Received: from kudu.ru.ac.za for tank@chem.nul.ls by www.ccl.net (8.8.3/950822.1) id NAA06050; Mon, 10 Feb 1997 13:45:58 -0500 (EST) Received: from uucp by kudu.ru.ac.za with local (Exim 1.58 #1) id 0vu0j5-0004gu-00; Mon, 10 Feb 1997 20:45:15 +0200 Received: from chem by thebe.nul.ls with uucp (Smail3.1.28.1 #52) id m0vu8QQ-0005KfC; Mon, 10 Feb 97 18:58 PST Message-Id: Received: from chem by chem.nul.ls (UUPC/extended 1.12b) with UUCP; Mon, 10 Feb 1997 18:22:27 GMT From: To: chemistry@www.ccl.net Date: Mon, 10 Feb 1997 18:22:26 Subject: reconnection Priority: normal X-mailer: PMail v3.0 (R1) I wish to subscribe to the ccl list. my email address is tank@chem.nul.ls. thanking you in advance -- tshehla From ccl@www.ccl.net Mon Feb 10 22:22:19 1997 Received: from bedrock.ccl.net for ccl@www.ccl.net by www.ccl.net (8.8.3/950822.1) id WAA09261; Mon, 10 Feb 1997 22:08:19 -0500 (EST) Received: from auric.chem.csiro.au for D.Winkler@chem.csiro.au by bedrock.ccl.net (8.8.3/950822.1) id WAA17563; Mon, 10 Feb 1997 22:08:04 -0500 (EST) From: Received: from [138.194.40.204] (mac-40204.chem.csiro.au) by auric.chem.csiro.au with SMTP id AA00366 (5.67b/IDA-1.5 for chemistry@ccl.net); Tue, 11 Feb 1997 14:02:36 +1100 Date: Tue, 11 Feb 1997 14:02:36 +1100 X-Sender: win097@auric.chem.csiro.au Message-Id: Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Apparently-To: Apparently-To: Australian Science - Australia's Future Date: Tue, 11 Feb 1997 14:07:27 +1000 To: chminf-l@iubvm.ucs.indiana.edu, chemistry@ccl.net From: "Dr. Dave Winkler" Subject: Molecular multipole moments Does anyone know of any software (Unix or Mac preferably), which allows calculation of molecular multipole moments? I think the Oxford Molecular software does but I'm interested in any other. Cheers, Dave Dr. David A. Winkler Voice: 61-3-9542-2477 Principal Research Scientist Fax: 61-3-9543-8160 CSIRO Division of Chemicals and Polymers http://www.csiro.au Private Bag 10,Clayton South MDC, http://www.wark.csiro.au Clayton 3169, Australia