Subject: 6TH CONFERENCE ON Current Trends In Computational Chemistry

From: "lwong (stallion)" <[email-masked]>
Date: Fri, 05 Sep 97 11:52:23 -0500

-- [ From: lwong (stallion) * EMC.Ver #2.5.02 ] --

6TH CONFERENCE ON Current Trends In Computational Chemistry

        NOVEMBER 7 & 8, 1997, Vicksburg, Mississippi. 

The organizing committee consists of: 

Cary F. Chabalowski                US Army Ballistic Research 
                                        Laboratory
Prof. William A Lester, Jr.        University of California
                                        at Berkeley
Prof. Jerzy Leszczynski(Chairman)  Jackson State University
Prof. David Magers                 Mississippi College
Dr. Gerald Maggiora                Upjohn Company
Prof. Richard Sullivan             Jackson State University
Prof. Donald G. Truhlar            University of Minnesota
Dr. Louis Turcotte                 USACE Waterways Experiment
                                        Station
Prof. Michael Zerner               University of Florida

           
Dear Colleague:
  
     We are pleased to announce the sixth conference on Current
Trends in Computational Chemistry. This symposium, organized by Jackson
State University, will cover all areas of computational chemistry as well
as quantum chemistry. The local host of the conference is the US Army Corps
of Engineers Waterways Experiment Station (WES) in Vicksburg, Mississippi.
     The meeting will be held at the Holiday Inn of Vicksburg, Mississippi
(40 miles west of Jackson) on Friday, November 7, and Saturday, November 8,
1997. The format consists of a series of plenary lectures and poster
presentations on Friday and Saturday, covering applications as well as
theory. In addition, a dinner and receptionis scheduled for Friday evening
and a banquet for Saturday evening.
     We are planning to publish extended abstracts (up to four pages each)
of all invited talks and poster presentations. Original scientific
contributions will be published in a special issue of the Journal of
Molecular Structure (THEOCHEM).
    Manuscripts for inclusion in the special issue should be submitted in
triplicate upon arrival at the registration desk. Submitted papers will be
subject to the journal's standard referee procedures.
  
Sincerely,
Jerzy Leszczynski 
Chairman of the Organizing Committee

                     Registration Form

6TH CONFERENCE ON Current Trends In Computational Chemistry
                                  
           NOVEMBER 7 & 8, 1997, Vicksburg, Mississippi. 

1.

NAME:
_________________________________________________________________________

MAILING
ADDRESS:_________________________________________________________________

_________________________________________________________________________

TELEPHONE: _____________  FAX: ______________ 
E-MAIL:_______________________________________

2.   If you wish to present a poster, please indicate the title
below. All abstracts are due by September 30, 1997 (up to four pages in
length,  presenting author underlined, photo ready quality, in duplicate)
to ensure publication in the conference materials. 

TITLE:
_________________________________________________________________________

_________________________________________________________________________

AUTHORS:
_________________________________________________________________________

3.   Conference materials, banquet and reception fee, all meals
     from breakfast Friday through dinner Saturday, coffee, and
     refreshments are included per paid participant. 

     MAKE CHECKS PAYABLE TO: Current Trends in Computational Chemistry. 

     Registration fee before September 30, 1997
     US $150.00      $_____   

     Registration fee thereafter                                  
     US $200.00      $_____

     Registration fee at student discount                         
     US $ 75.00      $_____

4.   HOUSING: The organizers will not make housing reservations.
     To reserve a  room at the special conference rate of $50.00-$60.00
     per night, per room, contact the Holiday Inn of Vicksburg, 3330 Clay
     Street, Vicksburg, MS 39180, Tel:(601)636-4551, Fax:(601)636-4552.
     Reservations should be arranged with the Holiday Inn before
     October 10, 1997.
  
     I do _____ do not ____ plan to stay at the conference hotel. 

     I do ___ do not ____ plan to submit a paper to the special
     issue of THEOCHEM.

                                        ____________________
                                             Signature

Department of Chemistry, Jackson State University, Jackson, MS 39217, USA
Conference Chairman:
Dr. Jerzy Leszczynski, Tel: 601-973-3482, Email: jerzy2.iris5.jsums.edu;
Conference Secretary:
Ms. Liqun Wong, Tel: 601-973-3723, Email: [email-masked].
Conference Website:   http://tiger.jsums.edu/~cctcc/conf_homepage.html

                      TENTATIVE SCHEDULE

The program will include invited papers and contributed posters
in  all areas of Quantum and Computational Chemistry.

FRIDAY, NOVEMBER 7, 1997

Registration                                8:00 AM - 12:00 PM
                                            2:00 PM -  4:00 PM

Continental Breakfast                       8:00 AM -  9:00 AM

Opening Ceremony                            9:00 AM -  9:30 AM

MORNING SESSION                             9:30 AM - 12:50 PM

Gilda Loew, Molecular Research Institute
"Calculated Electronic Spectra & Structures of Transient HEME
Intermediates in the Enzymatic Cycle of Cytochrome P450s."

Barry Honing, Columbia University
"Electrostatic Properties of Molecules in Aqueous Solution:
Chemical and Biological Applications."

Coffee Break                                11:00 AM - 11:20 AM

James P. Stewart, Stewart Computational Chemistry
"Calculation of the Electronic Structure of Proteins Using
Semiempirical Methods."

George R. Famini, U.S.Army Edgewood Research Development&Engineering Center
"Applying Semi-empirical Molecular Orbital Based Descriptors to
Linear Free Energy Relationships."

Lunch Break                                  12:50 PM -  2:00 PM

AFTERNOON SESSION                             2:00 PM -  3:30 PM
                                 
Clifford E. Dykstra, Indiana University-Purdue University at Indianapolis
"Quantum Monte Carlo Vibrational Analysis of the Dynamics
Associated with Non-bonding Interactions."

Jack Simons, University of Utah
"Electron-Molecule Dynamics"

Coffee Break                                   3:30 PM -  4:00 PM

Tour of the WES Facilities                     4:00 PM -  5:30 PM

FIRST POSTER SESSION                           6:00 PM -  7:15 PM
                          
Dinner/Reception                               7:30 PM - 10:00 PM

Speaker:  Istvan Hargittai, Academy of Science of Hungary
          "The Molecules Among Us: Conversations with Famous Chemists"

SATURDAY, NOVEMBER 8, 1997

Continental Breakfast                          8:00 AM -  9:00 AM

Registration                                   8:30 AM - 11:00 AM

MORNING SESSION                                9:00 AM - 12:30 PM

Petr Carski, Academy of Sciences of the Czech Republic 
"Ab Initio Calculations of Vibrational Intensities in Electron
Energy Loss Spectroscopy."

Mariusz A. Klobukowski, University of Alberta 
"Secondary Kinetic Isotope Effects"

Coffee Break                                   10:30 AM - 11:00 AM

Jean-Louis Rivail, Universite Henri Poincare
"Quantum Modelling of Very Large Molecular Systems."

H. Bernhard Schlegel, Wayne State University
"Recent Developments of Exploring Potential Energy Surfaces for
Chemical Reactions."

Lunch Break                                     12:30 PM -  2:00 PM

AFTERNOON SESSION                                2:00 PM -  4:15 PM

Hiroshi Nakatsuji, Kyoto University
"Developing Methods in Computational Chemistry."

Michel Dupuis, Pacific Northwest National Lab
"Spin Multiplicities And Ab Initio Methods: A Comparative Study
of Molecular Orbital Theory And Density Functional Theory."

Robert G. Parr, University of North Carolina
"Current Trends in Density Functional Methods."
                                
Coffee Break                                     4:15 PM -  4:45 PM

SECOND POSTER SESSION                            4:45 PM -  6:00 PM
                                
Cocktails                                        6:30 PM -  7:30 PM

BANQUET                                          7:30 PM - 10:00 PM

Speaker:  TBA