Subject: CAT-96, 2nd announcement

From: [email-masked] (Josep M. Ricart)
Date: Mon, 22 Jan 1996 18:52:39 +0100 (NFT)

6th INTERNATIONAL CONFERENCE ON THEORETICAL ASPECTS
			  OF HETEROGENEOUS CATALYSIS

                          TARRAGONA ,CATALONIA, SPAIN

                                 JUNE 2-7, 1996
-------------------------------------------------------------------------------
                     SECOND ANNOUNCEMENT & CALL FOR PAPERS
-------------------------------------------------------------------------------
                              IMPORTANT DEADLINES

                              January, 15th, 1996
    Submission of Abstracts for papers where oral presentation is requested.

                              February, 15th, 1996
Registration and full board reservation at the conference site. Deadline for
                        registration at the regular fee.

                               March, 15th, 1996
                          Poster Abstract submission.

                                June, 7th, 1996
                      Deadline for manuscript submission.
-------------------------------------------------------------------------------
SCOPE AND BACKGROUND
We cordially invite you to participate in the 6th International Conference on
Theoretical Aspects of Heterogeneous Catalysis, CAT-96, which will be held 2-7
June 1996 in Tarragona, Spain. CAT-96 follows the five previous bi-annual
meetings in Lyon (France), Zakopane (Poland), Berkeley (USA), Crakow (Poland),
and Berlin (Germany); it will continue and extend the scientific exchanges
established at these meetings.
The major focus of CAT-96 will be on theory but there will be several
experimental presentations. A key goal of CAT-96 is to enhance existing and to
foster new interaction between workers in these two important and
complementary aspects of the fundamental science of catalysis.
Tarragona was founded by the Romans in about 218 B.C. Many monuments have been
well preserved from the time when it was the capital of the Hispania Citerior:
praetorium, circus, amphitheatre, aqueduct, forum, walls, etc. Situated on the
Mediterraneum coast, Tarragona is an active city of 120,000 inhabitants;it has
pleasant avenues, a look-out point over the Mediterranean and an archeological
walk round the old city including the Cyclopean Iberian and Roman walls.
-------------------------------------------------------------------------------
LOCATION
The conference will take place at the "Ciutat de repos i vacances de
Tarragona", a vacation resort 200 meters from the wonderful mediterranean
beaches of the Catalonian Golden Coast. The resort is on a site of 140,000 m2
(about 300 acres) and is surrounded by gardens and by pine trees. It is located
4.2 Km from Tarragona and can be reached by either bus or taxi. A limited
number of rooms for attendees are available at the resort; priority for these
rooms will be given to invited lecturers and to people who register early .
Tarragona is easily reached by air, rail or car. The closest international
airport is at Barcelona, 100 Km from Tarragona. Participants arriving at
Barcelona by air can reach Tarragona by train. Trains leave the airport for
Barcelona Central station every 30 minutes; from where trains leave almost
every hour for the 75 minutes trip to Tarragona.
Further information on reaching the conference site will be included in the
final announcement which will be sent ONLY to people who have responded to this
announcement and have returned their registration form.
-------------------------------------------------------------------------------
TENTATIVE SCIENTIFIC PROGRAM
The scientific program will include 15 invited lectures of 50 minutes plus 10
minutes discussion, 20 contributed talks of 25 minutes plus 5 minutes
discussion and two poster sessions. The schedule has been arranged in this way
in order to avoid parallel sessions. People wishing to present oral or poster
contributions have to submit an abstract. Those participants requesting oral
presentations must submit it before 15 January 1996, while the deadline for
poster abstracts is 15 March 1996.
Based on the abstracts, the organizing committee will select the papers which
will be accepted for oral or for poster presentation. So far 48 requests for
contributed lectures have been received. It is clear that many of the requests
for oral presentation will have to be accepted as poster contributions.
Authors will be informed about the form of their presentations after review by
the organizing and local scientific committees.
-------------------------------------------------------------------------------
TOPICS
The conference will cover both experimental and theoretical aspects related to
heterogeneous catalysis; in particular the following topics will be covered:

 Metal and/or metal oxides in catalytic systems
 Theoretical concepts and computational methods
 Reactions on surfaces and clusters
 Acid-base catalysis
 Thin films and supported clusters
 Surface reaction dynamics
-------------------------------------------------------------------------------
INVITED LECTURES

M. C. Asensio, Instituto de Ciencia de Materiales de Madrid, Spain, & LURE,
France. "Electronic and structural determination in situ of interfaces using
Synchrotron Radiation: Importance in Heterogeneous Catalysis"

P. S. Bagus, University of Groningen, The Netherlands & Universitat de
Barcelona, Spain, "Analysis of the interaction of adsorbates with oxide
surfaces: ab initio cluster model studies"

R. Dovesi, Dipartimento di Chimica Inorganica, Chimica Fisica e Chimica dei
Materiali, Universita degli Studi di Torino, Italy, "A comparison of periodic,
embedded cluster and cluster results in the study of chemisorption on ionic and
covalent oxides"

W. A. Goddard III, Materials and Molecular Simulation Center, California
Institute of Technology, USA, "Chemical mechanism of catalytic processes from
ab initio calculations on clusters and surfaces: Application to selective
oxidation by VPO, activation of CH4, and stereoselective Ziegler-Natta
polymerization"

D. W. Goodman, Department of Chemistry, Texas A&M University, USA "Model
Catalytic Studies Using Ultrathin Metal and Metal Oxide Films"

O. Gropen, Institute of Mathematical and Physical Science, University of
Tromso, Norway, "Methods for calculations of chemisorption of small
molecules on heavy metal clusters"

M. Grunze, Angewandte Physikaliche Chemie am Physikalisch Chemischen Institut
der Universität Heidelberg, Germany, "Structural Characterization of large
organic adsorbates"

K. Hermann, Fritz-Haber Institüt der Max Planck Gesellchaft, Germany, "Active
sites and reactive chemisorption of molecules at metal and oxide surfaces"

D. King, Department of Chemistry, University of Cambridge, United Kingdom,
"Mechanistic Control of a biphasic Catalytic Reaction: Ammonia Oxidation on
Pt(100)"

G. Pacchioni, Dipartimento di Chimica Inorganica, Metallorganica e Analitica,
Universita' degli Studi di Milano, Italy, "Quantum Chemistry of supported metal
clusters and films on ionic and metallic substrates"

F. Ruette, Instituto Venezolano de Investigaciones Cientificas, Venezuela,
"Theoretical Modelling of Hydrotreatment Reactions for Oil Components"

M. Salmeron, Material Science Division, Lawrence Berkeley Laboratory, USA,
"Application of the STM to surface chemistry and catalysis studies"

J. Sauer, Max Planck Gesellchaft zur Furderunf der Wissenschaften E.V.
Arbeitsgruppe Quantuenchemie und der Humboldt-Universität, Germany, "Modelling
the structure and reactivity of zeolite catalysts with ab initio techniques"

H. Sellers, South Dakota State University, USA, "Thermodynamic and ab initio
calculations on ion-metal surface interactions"

U. Wahlgren, Physikum, University of Stockholm, Sweden, "Model studies of
reactions on metal surfaces"
-------------------------------------------------------------------------------
CALL FOR PAPERS

People who have invited and contributed (oral or poster) presentations at
CAT-96 are expected to contribute a paper to the conference proceedings which
will be published in a special issue of Journal of Molecular Catalysis.
In order to conform to the limits imposed by the journal, authors are requested
to limit the size of their papers to less than 20 typed pages for invited
presentations and less than 10 pages for contributed presentations. The size
limits of the manuscript does not include references and figures.
Every effort will made to insure a rapid review of the papers. Although the
deadline for manuscript submission is at the conference closure authors are
encouraged to submit at their earlier convenience; early submission will speed
up the publication of the conference proceedings. Details for manuscript
preparation may be found in any issue
of Journal of Molecular Catalysis.
All participants will receive an issue of the conference proceedings with no
extra cost.
-------------------------------------------------------------------------------
REGISTRATION FEE
The registration fee for active participants will be of 30,000 spanish pts.
($250) if formalized before February 15th 1996 and 50,000 ($400) after this
deadline. Conference fee warrants attendance at the scientific sessions, a book
of abstracts to be distributed at the conference registration desk, and a free
copy of the special issue of the Journal of Molecular Catalysis with the
conference proceedings (to be mailed after the conference). It also covers the
conference dinner, coffee breaks, excursion and visit to the city.
-------------------------------------------------------------------------------
ACCOMMODATION
Accommodation at the conference site in fully equipped apartments is available
for invited speakers and for about 100 participants. The apartments contain
either one or two bedrooms, a living area, a balcony or terrace area and
bathroom facilities. Each bedroom contains two single beds but only one
participant will normally be assigned to a bedroom. However, there are
possibilities for a participant to share a room with a companion or for two
participants to share a room; see below. The fee for accommodation at the
conference site includes room and full board of three meals, breakfast, lunch
and dinner.
Conference registration will be on Sunday, 2 June with the sessions beginning
on Monday, 3 June and continuing until the conference close at mid-day Friday,
7 June. For the convenience of participants staying at the conference site, it
will be possible to arrive on Saturday, 1 June, before lunch and to remain
until Saturday, 8 June after breackfast at no extra cost.

For those participants who stay at the conference site and who occupy a room to
themselves, accommodation and full board for up to 7 days will be 50,000 Pts
($400); the conference fee is an additional 30,000 Pts ($250). Since the number
of places is limited they will be assigned on a first come first serve basis.
Reservations will be guaranteed only when a check or a bank transfer for the
total amount above indicated will be received by the organizers.

If the bedroom is shared with an accompanying person or with another conference
participant, the cost for room and board for each person will be 40,000 Pts
($325). Reservation for accompanying persons or for participants who wish to
share a bedroom must be made at the same time.

Those participants wishing to stay downtown Tarragona will need to find their
own accommodations. Meal tickets will be available at a cost of 1500 pts for
either lunch or dinner.
-------------------------------------------------------------------------------
SOCIAL PROGRAMME FOR ACCOMPANYING PERSONS

The conference site is walking distance to the beach; weather in June is
usually warm and sunbath or swimming in the Mediterranean is a nice
possibility. Sport facilities may be used at low cost. Excursions to Tarragona,
Barcelona and other interesting locations will be organized daily also at very
reasonable prices.
-------------------------------------------------------------------------------
GRANTS
We plan to have special conditions for a limited number, ~ 30, of Ph. D.
students. A formal request accompanied by a recommendation letter from their
Ph. D. supervisor and a short curriculum must be addressed to the conference
organizers.
Students having a conference grant will have free registration and will be
accommodated in apartments with three double rooms and sharing the room with
another student. The cost of room and board will be 25,000 pts ($200).
-------------------------------------------------------------------------------
PAYMENT
Payment of the conference fee or for conference registration plus full room and
board accommodation (with accompanying person if it is the case) can be made by
sending the organizers a check payable to "Universitat de Barcelona - 6th
International Conference on Theoretical Aspects of Heterogeneous Catalysis"
together with the filled registration form. Participants can also order a bank
transfer to "La Caixa" account # 2100-3642-18-2200030511; in this case please
send the organizers a copy of the bank transfer, preferably by FAX and, also,
the properly filled registration form. Check and bank transfers should be in
Spanish Pesetas.
For the convenience of participants from outside Europe, checks may be made
payable in U.S. $.
-------------------------------------------------------------------------------
                        CONFERENCE COMMITTEE INFORMATION

                       INTERNATIONAL SCIENTIFIC COMMITTEE
                     G. Ertl, Fritz-Haber Institut, Germany
           D. King, Cambridge University Chemical Laboratory, England
      R. A. van Santen, Technische Universiteit Eindhoven,The Netherlands
                 H. Sellers, South Dakota State University, USA
                  V. Staemmler, University of Bochum, Germany

                           LOCAL SCIENTIFIC COMMITTEE
                              S. Vic, REPSOL I+D
    J. L. G. Fierro, Instituto de Catalisis y Petroleoquimica, CSIC, Madrid
	 M. A. Camblor, Instituto de Tecnologia Quimica, CSIC, Valencia
                    J.A. Odriozola, Universidad de Sevilla
		   J. Fernandez-Sanz, Universidad de Sevilla

                              ORGANIZING COMMITTEE
P.S. Bagus*, R. Caballol**, J. Casanovas**, A. Clotet**, F. Illas*, A. Povill*,
                      J.M. Ricart**, J. Rubio*, C. Sousa*.

		*Dept. Quimica Fisica           **Dept.Quimica
		Universitat de Barcelona        Universitat Rovira i Virgili
		C/ Marti i Franques, 1          P. Imperial Tarraco, 1
		08028-Barcelona (Spain)         43005- Tarragona (Spain)
		Phone:34-3-4021229              Phone:34-77-559568
		Fax: 34-3-4021231               Fax: 34-77-559563

                    Conference e-mail: [email-masked]

		www: http://www.quimica.urv.es/~cat96/cat96.html
-------------------------------------------------------------------------------
SPONSORS
Universitat Rovira i Virgili.
Universitat de Barcelona.
Comissionat per a Universitats i Recerca - CIRIT
Ministerio de Educacion y Ciencia - DGICYT
Asociacion Empresarial Quimica de Tarragona.
Societat Catalana de Quimica.
Fundacio Catalana per a la Recerca.
Grupo Especializado de Catalisis de la Real Sociedad Espanyola de Quimica .
REPSOL.
HOECHST.
DOW.
CARBUROS METALICOS.
IBM
Apple Computer Spain.
Col.legi Associacio de Quimics de Catalunya.
-------------------------------------------------------------------------------
REGISTRATION FORM
If you need a Registration form, please send an email
and we will send you a registration form in postscript format.
-------------------------------------------------------------------------------