From owner-chemistry@ccl.net Fri May 12 00:33:01 2006 From: "Dr. Alexander Hofmann ah:chemie.hu-berlin.de" To: CCL Subject: CCL:G: Gaussian Segmentation Fault termination via Lnk1e in /opt/gaussian03/g03/l9999.exe Message-Id: <-31750-060511170851-27252-CvfYaKjXDQt5ufTCxTAHLA++server.ccl.net> X-Original-From: "Dr. Alexander Hofmann" Content-Disposition: inline Content-Type: text/plain; charset=us-ascii Date: Thu, 11 May 2006 20:36:40 +0200 Mime-Version: 1.0 Sent to CCL by: "Dr. Alexander Hofmann" [ah\a/chemie.hu-berlin.de] Hi there, this usally appears if your geometry does not converge within the (default) number of cycles. You should check the gradients and increase the maximum number of optimization steps. The default depends somehow on the number of atoms and is for small systems rather small. I've seen sth. around 20 cycles. Hth alex On Thu, May 11, 2006 at 10:40:56AM -0400, Roger Kevin Robinson r.robinson(!)imperial.ac.uk wrote: > Sent to CCL by: Roger Kevin Robinson [r.robinson]|[imperial.ac.uk] > Hi, > > I keep getting segmentation faults with gaussian. Its on TS jobs and > some G3B3 calculations. Its when the program is passed to l9999.exe > deireclty after a quote. > > Im pretty sure the complilation is sound. > > this is the error in the shell > > **** Segmentation fault! Fault address: 0x3ec00003bb5 > > Fault address is 4312054295477 bytes above the nearest valid > mapping boundary, which is at 0x5895000. > > You can obtain a view of your program's memory map at > the time of the crash by rerunning with the F90_DUMP_MAP > environment variable set to a non-empty string. > > and this in the shell > > UPON WHICH ONE COULD HAVE BUILT. -- A.EINSTEIN > Error termination request processed by link 9999. > Error termination via Lnk1e in /opt/gaussian03/g03/l9999.exe at Thu May > 11 13:35:32 2006. > Job cpu time: 0 days 0 hours 0 minutes 7.0 seconds. > File lengths (MBytes): RWF= 19 Int= 0 D2E= 0 Chk= 10 > Scr= > > I've tried uping the memory using 1 processor uptime the size of the > scratch directory. > > I cant even do the TS job example from > > Exploring chemistry with electronic structure methods 2ed. - Foresman, > Frisch > > I've ran plenty of other G3B3 jobs with out error it mainly seems to be > a fault locating Transistion States. > > Any ideas ? > > Thanks Roger> > > -- Dr. Alexander Hofmann Humboldt-Universitaet zu Berlin Institut fuer Chemie Arbeitsgruppe Quantenchemie Post: Unter den Linden 6 10099 Berlin Visitors: Brook-Taylor-Strasse 2 12489 Berlin ah^chemie.hu-berlin.de Tel.: +49-30-2093-7138 Fax.: +49-30-2093-7136 http://www.chemie.hu-berlin.de/ag_sauer/index.html PGP-Key: wwwkeys.de.pgp.net ID: D9D62D35 From owner-chemistry@ccl.net Fri May 12 03:26:00 2006 From: "Orlin Blajiev blajiev _ vub.ac.be" To: CCL Subject: CCL: Vibrations in Gamess Message-Id: <-31751-060512032341-8389-NwXtTS/cWcuCtGjinEy0/g[*]server.ccl.net> X-Original-From: "Orlin Blajiev" Date: Fri, 12 May 2006 03:23:39 -0400 Sent to CCL by: "Orlin Blajiev" [blajiev : vub.ac.be] Hi, 1. I will very much appreciate an information what the following statement in Gamess means: * * * WARNING, MODE 1 HAS BEEN CHOSEN AS A VIBRATION WHILE MODE 7 IS ASSUMED TO BE A TRANSLATION/ROTATION. PLEASE VERIFY THE PROGRAM'S DECISION MANUALLY! MODES 2 TO 7 ARE TAKEN AS ROTATIONS AND TRANSLATIONS. FREQUENCIES IN CM**-1, IR INTENSITIES IN DEBYE**2/AMU-ANGSTROM**2, REDUCED MASSES IN AMU. Is it a way to say that something is wrong with the optimization and how to verify it manually? 2. Is there a suitable program to plot the transitional dipole moments from Gamess results and especially to derive their direction in relation to the coordinate frame in which the molecule is placed? Best regards, Orlin From owner-chemistry@ccl.net Fri May 12 08:58:01 2006 From: "Pascal Gosselin Pascal.Gosselin=univ-lemans.fr" To: CCL Subject: CCL:G: Summary: Spin Density vs SOMO surfaces Message-Id: <-31752-060512063652-26134-ht2YLDZtwYnV0ZNRf/feIA\a/server.ccl.net> X-Original-From: Pascal Gosselin Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1; delsp=yes; format=flowed Date: Fri, 12 May 2006 11:58:56 +0200 Mime-Version: 1.0 (Apple Message framework v750) Sent to CCL by: Pascal Gosselin [Pascal.Gosselin(!)univ-lemans.fr] Dear CCLers, I realized that I never posted a summary of the answers I received to the following question. Here is a fix for this negligence: Thanks to everyone who replied to my original question about the differences between the Spin Density and SOMO surfaces: Alan Shusterman, David Shobe, Noel O'Boyle, Doug Fox, Christophe Morell. The answers are given below. Regards, Pascal Gosselin. -------------------- Original question: -------------------- I wanted to visualize the localization of the unpaired electron in radical-cations whose structures were optimized at the UB3LYP/6-31G* level in Gaussian98. For that purpose, I asked Gaussview to compute both Spin Density and SOMO surfaces. In most cases, both pictures were very similar. However, in some cases, I was surprised to observe two very different pictures, i.e. the surfaces were located over completely different regions of the radical-cation. In some cases, alphaSomo, alphaSomo-1 and betaSomo were found very close in energy. I tried to obtain a "mean view" of the system by adding the alphaSomo and alphaSomo-1 then subtracting betaSomo (with the cubman utility within g98 package). The resulting picture remained different of the Spin Density surface. Has somebody an explanation? -------------------- Answers: Alan Shusterman: -------------------- You might want to search thru the CCL archives. I believe that this question has been asked before and rather complete answers were given. The short answer is this: unrestricted methods (UHF, UB3LYP, etc.) assign a unique orbital to every electron (rigorously, every unrestricted orbital is a SOMO). The spin density surface is based on the difference in total alpha and total beta electron density. Since spin density depends on *all* of the electrons, there is no reason to expect the spin density surface to resemble a particular MO. However, for many radicals, all of the occupied beta MO#i have a corresponding occupied alpha MO#i of similar shape. These orbitals are essentially double-occupied and do not contribute to the spin density. In this case, one alpha MO (usually alpha HOMO, or "SOMO" according to GaussView) contributes to the spin density. -------------------- David Shobe -------------------- Because it's an unrestricted calculation *every* orbital is a SOMO! (= singly occupied molecular orbital). What you're calling the SOMO is actually the highest occupied alpha molecular orbital. I would choose the spin density as more representative of where the ion has "radical character." -------------------- Noel O'Boyle -------------------- Perhaps you should square the SOMOs (using cubman) before adding and subtracting them (since the density is the square of the MO). -------------------- Doug Fox -------------------- I can only guess but note that the orbitals in a spin unrestricted calculation are ordered by occupation and then by energy. Thus it is possible that the real SOMO, i.e. one which has no beta counterpart, can be somewhere other than alphasomo or alphasomo-1. Check the top few orbitals to try and match up alpha/beta SOMOs for the top few orbitals. -------------------- My reply to Doug Fox -------------------- You are right: I had already found what you call the "real" SOMO in several examples. It was for instance, the alphaHOMO-2 and the beta counterpart (same shape) was the first unoccupied beta orbital (betaLUMO). But, that's what disturbs me ! Shouldn't the "real" SOMO be the highest HOMO according to the Aufbau principle? Or is that just an artifact due to the Unrestricted method used (UB3LYP)? As a matter of fact, ROHF results show a SOMO very similar to the Spin Density surface (ie -> no problem) but, I never succeeded in making the ROB3LYP calculations to converge, despite numerous tries with different initial guesses... On the other hand, if we admit that the SOMO is, ie alphaHOMO-2, could that fact reflect a particular stabilization of the radical cation? -------------------- Doug Fox 2nd reply -------------------- The Aufbau principle is an ideal but not a guarantee. The energy of orbitals depends a good deal on what element is involved. For example the lone pair electrons on F often get in the way of defining an active space because the bonding orbitals fall above them in energy. ROHF artifically forces the SOMO to be the highest alpha orbital by pairing the other orbitals. -------------------- Christophe Morell (in French, not posted on the mailing list) -------------------- Etes-vous sûr que vous visualisez la SOMO? En fait je me suis rendu compte recemment que la SOMO peut être quelques fois enterrée, c'est à dire que parfois ce n'est pas la plus haute en énergie. Je vous conseille donc de visualiser les couples d'orbitales alpha et béta proches de la HOMO afin de vérifier quelle est exactement la SOMO -------------------- My reply to Christophe Morell (in French, not posted on the mailing list) -------------------- Merci pour vos conseils. Effectivement, j'ai trouvé dans plusieurs cations-radicaux étudiés au niveau UB3LYP, une alphaHOMO "enterrée" dont l'allure rappelle fortement la surface de densité de spin. De plus, cette (alphaHOMO - n) ressemble à la première betaLUMO ce qui correspond bien à ce qu'on attend d'une SOMO. Dans ces exemples, le diagramme d'énergie des OM alpha et béta met en évidence le caractère "isolé" (non-apparié à première vue) de cette SOMO par rapport aux autres OM pour lesquelles on trouve pour chaque alpha une béta d'énergie très voisine. Ce qui me gêne, c'est de considérer comme SOMO une orbitale qui ne soit pas la plus haute en énergie. N'est-ce pas contraire au principe Aufbau? Par ailleurs, considérant une SOMO d'énergie inférieure à la HOMO, cela pourrait-il indiquer une stabilisation particulière du cation- radical correspondant par rapport à un autre R+. dont la SOMO serait bien la HOMO? -------------------- Christophe Morell 2nd reply (in French, not posted on the mailing list) -------------------- vos questions sont délicates, je n'ai malheureusement pas de réponses définitives en la matière. Néanmoins, ce qui est certain c'est qu'il faut être prudent avec les radicaux. Car en général les radicaux sont des réacitfs mous, c'est à dire dont les orbitales frontières sont mals séparées. Cela implique que plusieurs configurations électroniques sont à envisager (d'un point de vue chimie quantique plusieurs déterminants). Si vous regarder le livre de Nguyen Trong Ahn orbitales frontières manuel pratique, à la page 95, les différentes configurations possible pour un radical sont proposées. Si la configuration fondamentale, la SOMO est la HOMO, dans d'autres configuration la SOMO est "enterrée". Le poids de chacune des configuration est pris en compte dans un calcul CI interaction de configuration. Je serais pret à prendre le pari que le calcul en MP2 de votre radical implique un forte contamination de spin. Pour ce qui concerne votre conclusion concernant la réactivité j'aurais tendance à y souscrire d'un point de vue purement intuitif. Pour comparer la réactivité de vos radicaux, une solution est de calculer la dureté de vos radicaux. See p.95 in N. Trong Anh, Orbitales frontières : manuel pratique, InterEditions / CNRS Editions, 1995 From owner-chemistry@ccl.net Fri May 12 10:35:01 2006 From: "Samuel Flores samuel.flores]_[yale.edu" To: CCL Subject: CCL: energy convergence in Tinker? Message-Id: <-31753-060510222856-15874-sPFEEi2AzN259x+gsXAKzg- -server.ccl.net> X-Original-From: "Samuel Flores" Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="us-ascii" Date: Wed, 10 May 2006 21:49:41 -0400 MIME-Version: 1.0 Sent to CCL by: "Samuel Flores" [samuel.flores*|*yale.edu] Hi Guys, I've been using energy to monitor how well my structure is equilibrated in Tinker. However, it occurs to me that a lot of the fluctuation may be thermal. Is it safe to assume that if my system has, say, 1000 DOF at 300K, then I should expect energy fluctuations of 600 kcal/mol, which will never go away until I lower the temperature? Is the protein exchanging energy to the environment, in which case I should expect the energy to progressively diminish? Sam Samuel Flores Graduate Student Gerstein Lab Office: Bass 437 266 Whitney Avenue New Haven, CT 06520 203.432.5405 Home: 28 Pearl Street New Haven, CT 06511 cell: 203.747.2682 -----Original Message----- > From: owner-chemistry=-=ccl.net [mailto:owner-chemistry=-=ccl.net] Sent: Wednesday, May 10, 2006 7:31 PM To: Flores, Samuel Subject: CCL: Ask help for launching autodock tools in Vmware Sent to CCL by: "Bo Li" [liboqd .. gmail.com] Hi: I installed Redhat 9 in Vmware 5, in order to run Autodock on it. I have successfully installed Autodock Tools(ADT), but everytime I launched PMV, I received the following message and PMV paused: Run PMV from /usr/local/lib/python2.4/site-packages/Pmv Xlib: extension "XFree86-DRI" missing on display ":0.0". MSMSLIB 1.3 started on localhost.localdomain Copyright M.F. Sanner (March 2000) Compilation flags Traceback (most recent call last): File "/usr/local/lib/python2.4/site-packages/MolKit/APBSParameters.py", line 114, in __init__ self.APBS_Path = getBinary("apbs", 'binaries') File "/usr/local/lib/python2.4/site-packages/mglutil/util/packageFilePath.py", line 28, in getBinary pgmfullpath = findFilePath(name, package) File "/usr/local/lib/python2.4/site-packages/mglutil/util/packageFilePath.py", line 37, in findFilePath mod = __import__(packageName) ImportError: No module named binaries Any suggestion for this problem? Thanks a lot! Bohttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt From owner-chemistry@ccl.net Fri May 12 11:10:03 2006 From: "Georg Lefkidis lefkidis]^[physik.uni-kl.de" To: CCL Subject: CCL:G: Gaussian and determinants Message-Id: <-31754-060512104234-20320-9T+6zVdGjObpWNsfrNtXYg-#-server.ccl.net> X-Original-From: "Georg Lefkidis" Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset="iso-8859-1" Date: Fri, 12 May 2006 15:52:51 +0200 MIME-Version: 1.0 Sent to CCL by: "Georg Lefkidis" [lefkidis]-[physik.uni-kl.de] Hello everyone, when doing CASSCF calculations in Gaussian03, the program prints the configurations before stepping into the actual state calculation. So for example for a triplet 8-d system where one correlates the d-electrons (i.e. CAS(8,5,uno)) the configurations are 12345 123 12345 124 12345 134 12345 125 12345 234 12345 135 12345 235 12345 145 12345 245 and 12345 345 for the alpha and beta electrons respectively (i.e. there are always 5 alpha and 3 beta electrons). However the configurations do not say anything about the actual determinants. So the first one could be |1_a 2_a 3_a 4_a 5_a 1_b 2_b 3_b> or |1_a 1_b 2_a 2_b 3_a 3_b 4_a 5_a> to mention just two possibilities. These two however lead to different signs for the matrix elements between them of any given operator. Would anyone know a way to retrieve the actual determinants, or if any particular convention is followed? Thanks in advance George Lefkidis -- No virus found in this outgoing message. Checked by AVG Free Edition. Version: 7.1.392 / Virus Database: 268.5.6/337 - Release Date: 11/05/06 From owner-chemistry@ccl.net Fri May 12 11:44:01 2006 From: "Eric Scerri scerri-#-chem.ucla.edu" To: CCL Subject: CCL: 10th meeting of ISPC Message-Id: <-31755-060512111249-4733-2RDTRT2msSiDENvGEGjzDA]*[server.ccl.net> X-Original-From: Eric Scerri Content-Type: multipart/alternative; boundary=Apple-Mail-96--682224562 Date: Wed, 10 May 2006 08:49:43 -0700 Mime-Version: 1.0 (Apple Message framework v728) Sent to CCL by: Eric Scerri [scerri%a%chem.ucla.edu] --Apple-Mail-96--682224562 Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=WINDOWS-1252; delsp=yes; format=flowed > > > 2006 Summer Symposium of the International Society for the =20 > Philosophy of > > Chemistry (ISPC 10) > > > > Split, Croatia, August 6 - 10, 2006 > > > Organizers: Hrvoj Vancik, Professor of Chemistry =20 > (Zagreb), Ante Graovac, Professor of Chemistry (Split) > > Department of =20 > Chemistry > Faculty of Science > University of Zagreb > Horvatovac 102 A > 10000 Zagreb, Croatia > Phone +385 1 4819 280 > Fax +385 1 4819 288 > vancik_._irb.hr > > > > > The Departments of Chemistry of University of Zagreb and University =20= > of Split invite you kindly to participate the 10th ISPC Symposium =20 > that will be organized in Split, Croatia, from 6 till 10 August 2006. > > > > Tentative schedule > > Sunday afternoon: Registration and opening reception > > Monday: Opening plenary session, contributed =20= > papers > > Tuesday: Plenary session, contributed papers > > Wednesday: Plenary session, contributed =20 > papers, Banquet > > Thursday: Closing session, Executive =20 > Committee meeting, > Departure > > > Sightseeing and social events include tours of the museums and =20 > galleries (Archaeological Museum, Museum of Croatian Archaeological =20= > Monuments, Ivan Mestrovic Gallery, etc.) visits to the Old City =20 > with its Diocletian=92s Palace, which is on the UNESCO World Heritage =20= > list, and a boat excursion on the Adriatic. > > Facilities > > The Symposium will be held at the Student center Spinut of the =20 > University of Split, Sinjska 6, where the University dormitories =20 > are also located. Lecture hall contains auditorium with seating =20 > capacity ranging from 100 to 150. All conventional audiovisual =20 > equipment including computer projection is available. Coffee bar =20 > for refreshments and restaurant are a few meters from the Lecture =20 > hall. > > Housing will be arranged in the University dormitories at Spinut =20 > campus (street Sinjska 6) and at local hotels, which are within =20 > walking distance of campus. > Campus prices for single room is 150 HRK =20 > (25 USD) per person > double room 1s 130 =20 > HRK (22 USD) per person > > (Note that 1 USD =3D =20= > 6 HRK, or 1EURO =3D 7.35 HRK) > IMPORTANT: For the housing reservation in Campus you are pleased to =20= > send the personal check payable by HRVOJ VANCIK, Slavenska 17, =20 > 42000 Varazdin. > > Inexpensive meals are available in on-campus dining facilities. > There is also a broad range of restaurants within walking distance =20 > because the Campus is very close to the center of Split. > > > > Location and Transportation > > After Zagreb, Split is the second largest city in Croatia. It is =20 > located in the most attractive region of Croatia, in central =20 > Dalmatia on the Adriatic coast. Transportation to Split is simple =20 > because there is international airport. There are also a few fast =20 > inter-city train connections with Zagreb, and people coming by car =20 > can use the highway A-1, E-71 (nearly 400 km from Zagreb). Croatia =20 > Airlines flights many times daily on the line Zagreb - Split. Due =20 > to expected high touristic pressure, you are urged to make your =20 > flight reservations as soon as possible. > > > Registration fee > > Following the tradition of the ISPC Symposia, on the Conference is =20 > only the voluntary registration fee of 20 USD. > > Publication of Symposium Papers > > Several recent symposia have resulted in published volumes. Every =20 > effort > will be made to provide an appropriate venue for publication of the =20= > papers > presented at this symposium. A special issue of Foundations of =20 > Chemistry is > an excellent option, but others may appear as the time approaches. > > Registration > > The enclosed registration form and abstract (one typewritten page) =20 > should be received by the organizer (Prof. H. Vancik) till June 1, =20 > 2006. Abstract should be sent either in the form of MS Word =20 > Document as an E-mail attachment or as a hard copy. The margins of =20 > 2.5 cm and Times New Roman font (1.5 line spacing; size 12) are =20 > recommended. > > > REGISTRATION FORM > > > > The 2006 Summer Symposium of the International Society for the =20 > Philosophy of > > Chemistry (ISPC 10) > > > > Split, Croatia, August 6 - 10, 2006 > > > > Name & Family Name:__________________________________________________ > > > > Accompanying Person(s): =20 > _______________________________________________________ > > > > _______________________________________________________ > > > > Affiliation: =20 > ___________________________________________________________________ > > > > ______________________________________________________________________=20= > _______ > > > > Address: > > _______________________________________________________ > > > > _______________________________________________________ > > > > Phone:________________________Fax:_____________________ > > > > E-mail: _______________________________________________________ > > > > > > > > ( ) I plan to attend the ISPC 10 with presentation(s) > > > > entitled: > > _______________________________________________________ > > > > _______________________________________________________ > > > > > > ( ) I enclose the abstract of my oral ( ) and/or poster ( ) =20 > presentation as a Word document. > > > > > > I wish to reserve room in the Campus Spinut > > > > ( ) single room > > > > ( ) double room > > > > Please send this Form to Prof. Hrvoj Vancik, Fax: +385 1 4606 401, =20= > or as an attachment to > > E-mail address: vancik_._chem.pmf.hr > > ----------------------------------------------------------------------=20= > ----------------------------------------------------------------------=20= > ------------------------------------------------------------------ > The Periodic Table: Its Story and Its Significance, by Eric Scerri > > This book is being published by Oxford University Press on Sept =20 > 15th, 2006. > Advance orders can be placed with Amazon.com at, > > http://www.amazon.com/gp/product/0195305736/sr=3D1-2/qid=3D1145629377/=20= > ref=3Dsr_1_2/102-5744129-2544142?%5Fencoding=3DUTF8&s=3Dbooks > > price: $ 35.00 (hardcover, 400 pages) > > for a full description see the OUP webpage, > http://www.us.oup.com/us/catalog/general/subject/Chemistry/?=20 > view=3Dusa&ci=3D9780195305739 > --Apple-Mail-96--682224562 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=WINDOWS-1252


2006 Summer Symposium of the = International Society for the Philosophy of

Chemistry = (ISPC 10)

=A0

Split, Croatia, August 6 - 10,=A0 2006

=A0
Organizers:=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = Hrvoj Vancik, Professor of Chemistry (Zagreb), Ante = Graovac, Professor of Chemistry = (Split)
=A0
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0= =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = Department of Chemistry
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = Faculty of = Science
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = University of = Zagreb
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = Horvatovac = 102 A
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = 10000 Zagreb, = Croatia
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = Phone +385 1 = 4819 280
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = Fax +385 1 = 4819 288

=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = vancik_._irb.hr

=A0
=A0
=A0
The Departments of Chemistry of = University of Zagreb and University of Split = invite you kindly to participate the 10th ISPC Symposium that will be = organized in Split, Croatia, from 6 till 10 August = 2006.
=A0

=A0

Tentative schedule
=A0
Sunday afternoon:=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0= =A0 Registration and opening = reception
=A0
Monday:=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = Opening plenary session, contributed = papers
=A0
Tuesday:=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = Plenary session, contributed papers
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Wednesday:=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0= =A0 =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0= Plenary session, contributed papers, = Banquet
=A0
Thursday:=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = Closing session, Executive Committee = meeting,
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0= =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = Departure
=A0
=A0
Sightseeing and social events = include tours of the museums and galleries (Archaeological Museum, = Museum of Croatian Archaeological Monuments, Ivan Mestrovic Gallery, = etc.) visits to the Old City with its Diocletian=92s Palace, which is on = the UNESCO World Heritage list, and a boat excursion on the = Adriatic.
=A0
Facilities
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The Symposium will be held at the = Student center Spinut of the University = of Split, Sinjska 6, where the University dormitories are also located. = Lecture hall contains auditorium with seating capacity ranging from 100 = to 150. All conventional audiovisual equipment including computer = projection is available. Coffee bar for refreshments and restaurant are = a few meters from the Lecture hall.
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Housing will be arranged in the University dormitories at Spinut = campus (street Sinjska 6) and at local hotels, which are within walking = distance of campus.
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0= =A0 Campus prices for =A0=A0=A0=A0=A0= =A0=A0=A0=A0=A0=A0 single room is 150 HRK (25 USD) per person =
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = double room 1s 130 HRK (22 USD) per = person
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=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0= =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 = (Note that 1 USD =3D 6 HRK, or 1EURO =3D 7.35 = HRK)
IMPORTANT: For the housing = reservation in Campus you are pleased to send the personal check payable = by HRVOJ VANCIK, Slavenska 17, 42000 = Varazdin.
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Inexpensive meals are available in on-campus dining = facilities.
There is also a broad range of restaurants within walking = distance because the Campus is very close to the center of = Split.
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Location and = Transportation
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After Zagreb, Split is the second = largest city in Croatia. It is located in the most attractive region of = Croatia, in central Dalmatia on the Adriatic coast. Transportation to = Split is simple because there is international airport. There are also a = few fast inter-city train connections with Zagreb, and people coming by = car can use the highway A-1, E-71 (nearly = 400 km from Zagreb). Croatia Airlines = flights many times daily on the line Zagreb - Split. Due to expected = high touristic pressure, you are urged to make your flight reservations = as soon as possible.
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Registration = fee
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Following the tradition of the ISPC Symposia, on the = Conference is only the voluntary registration fee of 20 USD. =
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Publication of Symposium = Papers
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Several recent symposia have resulted in published volumes. = Every effort
will be made to provide an appropriate venue for publication = of the papers
presented at this symposium.=A0 A special issue of Foundations of = Chemistry is
an excellent option, but others may = appear as the time approaches.
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Registration
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The enclosed registration form and abstract (one typewritten page) should be received by = the organizer (Prof. H. Vancik) till June 1, = 2006. Abstract should be sent either in the form of = MS Word Document as an E-mail attachment or as a hard copy. The margins = of 2.5 cm and Times New Roman font (1.5 line spacing; size 12) are = recommended.
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REGISTRATION = FORM

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The 2006 = Summer Symposium of the International Society for the Philosophy = of

Chemistry = (ISPC 10)

Split, Croatia, August 6 - 10, = 2006

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Accompanying Person(s): = _______________________________________________________

Affiliation: = ___________________________________________________________________

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E-mail: = _______________________________________________________

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=A0( ) I plan to attend the = ISPC 10 with presentation(s)

=A0

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( ) I enclose the = abstract of my oral ( ) and/or=A0 = poster=A0 ( ) = presentation as a Word document.

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I wish to reserve room in the Campus = Spinut

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= (=A0 ) single = room

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= (=A0 ) double = room

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Please send this = Form to Prof. Hrvoj Vancik, Fax:=A0 +385 1 4606 401, or as an attachment = to

=A0E-mail address: vancik_._chem.pmf.hr

--------------------------------------------------------------= --------------------------------------------------------------------------= ----------------------------------------------------------------------
=
The Periodic Table: Its Story and Its = Significance, by Eric Scerri

This book is = being published by Oxford University Press on Sept 15th, = 2006.
Advance orders can be = placed with Amazon.com=A0 =A0at,

price: $ 35.00=A0 = =A0(hardcover,=A0 = 400 pages)

for a full description see = the OUP webpage,

= --Apple-Mail-96--682224562--