Subject: preliminary program (timing) symp. 544 cancun97 BACKUP (fwd)

From: Juvencio Robles <[email-masked]>
Date: Wed, 12 Feb 1997 20:15:31 -0600 (CST)

Dear all:

Since some of you asked for a copy of the symposium preliminary
program schedule in plain ascii, I am sending you a backup with:

a) program in plain ascii (follows this message)
b) program in Microsoft Word 6.0 (file cancprog.doc as attachment)

so you can choose whatever is convenient to you. Of course the
Word 6.0 version looks much nicer.

This contains the
preliminary program (timing) for our symposium on "New trends in atomic and
molecular structure teaching".

Invited speakers will talk for 30 minutes and have 5 more minutes 
for discussion and questions. . Instructions to prepare abstracts are
included in the attached program. Also if you know people that may want to
CONTRIBUTE a paper, we may set up a poster session. Abstracts for
contributed papers are to be sent directly to the congress secretariat, see
instructions in attached program. In that case please email me a copy of 
your abstract.

As of today the specific date for the symposium is still undefined
by the Congress secretariat but will certainly be someday between
November 11 and 15, 1997 ! As soon as we have this info I will
send it to you. I have asked the central ACS organizers to schedule
the symposia related to theoretical chemistry in such a way that
they do not overlap, so that you can go to all of them if you wish
to do that instead of going to the beach !

Do not hesitate to ask me or the Congress Secretariat ([email-masked]),
any questions about this. Looking forward to see you all at Cancun,

Sincerely,

Juvencio Robles.

****************************************************************
Dr. Juvencio Robles          |e-mail:   [email-masked]
Professor of Chemistry       |
Facultad de Quimica,         |
Universidad de Guanajuato,   |phone: +(52-473) 26885
Noria Alta s/n               |
Guanajuato, Gto. 36050       |fax:   +(52-473) 24250
MEXICO.                      |
****************************************************************

***********************************************************************************************************
Fifth Chemical Congress of North America.
Sociedad Química de México,
American Chemical Society
Canadian Society for  Chemistry
 
Symposium 544:  "New Trends in Atomic and Molecular Structure Teaching"

PRELIMINARY PROGRAM
Cancun, MEXICO.      (November 11-15, 1997)
Organizers: Juvencio Robles (University of Guanajuato) and Weitao Yang (Duke University).
***********************************************************************************************************

Description and Justification: 

Visualization of atomic and molecular structures, along with associated structure-reactivity relationships and the microscopic parameters that describe them are important topics of modern research, but could be incorporated to some extent in both undergra
duate and graduate chemistry curricula. Recent developments in theory, hardware and molecular modeling software enable students to acquire clearer understanding of relationships between conformation, structure, energetics, and many other aspects of modern
 chemistry education.This symposium attempts to make a bridge between important recent research developments in this field and potential opportunities to improve teaching of some difficult subject areas in chemistry.

Scope:

The scope of this symposium will cover these areas:

1) Computational Chemistry and related software/hardware for atomic and molecular structure education.

2) New theoretical concepts that provide insight in the teaching of this field. This includes quantum chemistry and Density functional theory related concepts (such as electronegativities, HSAB principle, hardness, fukui functions, action principle),  mol
ecular electrostatic potentials, etc.

3) Models and analogies useful to teach difficult concepts in this field.

***********************************************************************************************************

PRELIMINARY PROGRAM

Notes:
1. Symposium takes place in one full day. Date is still undefined.
2. Each speaker = 30 min. Talk + 5' discussion.
SESSION "A"   THEORETICAL CHEMISTRY RESEARCH IN THE TEACHING OF MODERN  CHEMISTRY

CHAIRMAN - Robert G. Parr (University of North Carolina- Chapel Hill).

08:30 - 09:05  Lee Bartolotti (North Carolina Supercomputer Center)  "Density-Functional Theory:  A tool for researchers and educators". 
09:05 - 09:40 Alex Tropsha (University of North Carolina -Chapel Hill) "Integration of formal training and research in molecular modeling curriculum".
09:40 - 10:15 J.L. Gázquez (Univ. Autonoma Metropolitana- Iztapalapa) "Hard and Soft Acids and Bases".

***********************************************************************************************************
30' COFFEE   BREAK
***********************************************************************************************************

CHAIRMAN   Weitao Yang (Duke University).

10:45 - 11:20 Richard Bader (McMaster University) "Relating chemistry to quantum mechanics using the electron and current densities and the action principle".
11:20 - 11:35 Plinio Sosa (Universidad Nacional Autonoma de Mexico) "Atomic and Molecular structure teaching at the high school level".
11:55 - 12:30 Alberto Vela (Universidad Autonoma Metropolitana -Iztapalapa) "Symbolic Mathematics in the quantum chemistry classroom: The UAM-I experience".

***********************************************************************************************************
(2.5 HR. FOR LUNCH/POSTER SESSION. TO BE DECIDED YET depending on receipt of contributed papers, may be scheduled here. See below.):

12:30 - 13:00  5 minute oral poster presentations.
13:00 - 15:00  Poster displays w/lunch
***********************************************************************************************************

SESSION "B" COMPUTATIONAL CHEMISTRY AND THE NEW MOLECULAR MODELING CURRICULUM 

CHAIRMAN - Juvencio Robles (University of Guanajuato).

16:00 - 16:35 Aileen Alvarado-Swaisgood (Biosym/ MSI)  "Recent successes in the integration of computational chemistry software into the curriculum of academic institutions worldwide"
16:35 - 17:10 Gerardo Cisneros (Silicon Graphics, S.A./ Cray Research) "Symmetry eigenfunction tools for research and training".
17:10 - 17:45 Scott Zimmermann (Brigham Young University) "Molecular modeling in Biochemistry".
17:45 - 18:20  Warren Hehre (Wavefunction, Inc.) "Practical electronic structure methods".

***********************************************************************************************************

Contributed Papers:

 A Lunch/poster session. TO BE DECIDED YET depending on receipt of contributed papers, may be scheduled as noted above. Chemists, chemical scientists or professionals in related sciences are invited to submit papers for consideration and to attend the sym
posium. These papers will be presented in oral-poster format which is a 5-minute oral presentation followed by a traditional poster display. 

Abstracts and deadlines:

Abstracts are required for ALL papers to be presented at the Congress. The Congress Abstract Form, which may be obtained from the 5NACC Secretariat (see address below) or at the following internet URL: http://latina.chem.cinvestav.mx/RLQ/mexico/5ccna.html
  should be returned in original and two copies. Abstract should be brief, 150 words maximum. Presenting author must be underlined or italicized, author listed by given name first and then family name.. Title of paper in all capital letters. Give full mai
ling address. Single space typing using black ink.

 The deadline for receipt of abstracts of contributed papers is April 1, 1997. These abstracts (written in English and indicating that the paper should be presented at the poster session of symposium 544) should be mailed to:

5NACC Secretariat
c/o American Chemical Society
Meetings Department.
1155 16th Street, N.W.
Washington, DC 20036
USA
phone: +(01-202) 872- 6286
FAX: +(01-202) 872- 6128
E-Mail:    [email-masked]

Abstracts of invited papers should be sent to the symposium organizer and are due by March 15, 1997:

Juvencio Robles
Facultad de Química
University of Guanajuato
Noria Alta s/n
Guanajuato, GTO 36050
phone: +(52-473)- 26885
FAX : +(52-473)- 24250
E-Mail: [email-masked]  (please email your abstract if possible)