Subject: ACS symposium on Molecular Modeling in Environmental Chemistry

From: "Rebecca Perlow" <rp284:at:nyu.edu>
Date: Tue, 24 Feb 2004 12:04:46 -0500

Call for Papers

Molecular Modeling in Environmental Chemistry

Sponsored by:
Division of Computers in Chemistry (COMP)
Division of Environmental Chemistry (ENVR)
Division of Geochemistry (GEOC)

228th National Meeting of the American Chemical Society
Philadelphia, PA
August 22-26, 2004

Molecular-level knowledge of pollutant chemistry is necessary because
speciation can affect bioavailability, fate, and transport of contaminants.
These three factors influence the assessment of environmental risk at a
given level of contamination.  Molecular modeling is growing as a method
that can provide predictions and explanations of the behavior of
environmental contaminants, especially in collaboration with field and
experimental studies.  This symposium seeks to bring together a broad array
of researchers who are developing and applying methods of computational
chemistry and molecular modeling in environmentally related areas such as
computational toxicology, geochemical modeling, and Green Chemistry.
Techniques used for one application are generally useful for other types of
studies; hence, it is the goal of these sessions to share techniques and
problems between scientists in this relatively new sub-discipline.  Topics
of interest include but are not limited to 
.	QSARs for predicting toxicity and environmental chemistry
.	Modeling of aqueous and surface species 
.	Linkage between spectroscopic and modeling studies
.	Web-based databases for environmental chemistry
.	Modeling biochemistry of toxic effects
.	Modeling and simulation to elucidate structure-function
relationships in toxicology and 	environmental chemistry
.	Reactive transport modeling of contaminants
.	Biodegradation pathway simulations
This symposium seeks contributions that will highlight some of the cutting
edge methodologies and applications of environmental computational
chemistry. Sessions are planned over two days and short abstracts for
presentations should be submitted by April 15, 2004 via the OASYS system at:
http://oasys.acs.org. Extended abstracts for presentations should be
submitted to the symposium organizers by April 22, 2004. All abstracts must
conform to American Chemical Society guidelines available at
http://www.envirofacs.org. For additional information, please contact the
organizers.

Symposium Organizers
Rebecca Perlow			Brian Teppen
Steven Cabaniss
Dept. of Biology		Dept. of Crop & Soil Sci.
Dept. of Chemistry
New York University		Michigan State University		U of
New Mexico
100 Washington Sq. East	Plant & Soil Sci Bldg Rm 538		Albuquerque,
NM 87131
NY, NY 10003			East Lansing, MI 48824-1325
(505) 277-4445
(212)998-8228			(517)353-5215
cabaniss:at:unm.edu 
rp284:at:scires.nyu.edu		teppen:at:msu.edu