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Computers in Chemistry

The Computers in Chemistry Division
Awards Announcements

American Chemical Society

The American Chemical Society's (ACS) Division of Computers and Chemistry (COMP) and Chemical Computing Group (CCG), arepleased to announce the awardees of the CCG Excellence Awards for the Fall ACS National Meeting, held in Chicago, IL fromAugust 26-30, 2001.

In alphabetical order, the awardees are:

Caterina Bissantz for the paper entitled "Virtual Screening of Chemical Databases: Application of G-protein CoupledReceptors" Co-authors on the paper are Gerd Folkers and Didier Rognan. Ms. Bissantz is a graduate student in Dr. Folkerslabs in the Department of Applied Bioscience at the ETH in Zurich, Switzerland.

Catherine Check for the paper entitled "Augmentation of the LANL2DZ Basis Set Under B3LYP and MP2 Models to ImproveCalculated Results for p block Elements". Co-authors on the paper are Thomas M. Gilbert, Lee S. Sunderlin, Timothy O.Faust, John M. Bailey, and Brian J. Wright. Ms. Check is a graduate student in the Physical Chemistry Division at NorthernIllinois University in Dekalb, Illinois, working with Drs. Gilbert and Sunderlin.

Norge Cruz Hernández for the paper entitled "DFT and Molecular Dynamic Study of the ScN, TiN and VNMaterials". Co-author on the paper is Javier Fernández Sanz. Mr. Cruz Hernández is a graduate student inDr. Fernández Sanz's labs in the Department of Physical Chemistry at Seville University, Spain.

Ohyun Kwon for the paper entitled "Theoretical Studies of Main Group Metallocenes". Co-author on the paper isMichael L. McKee. Mr. Kwon is a graduate student in Dr. McKee's labs in the Department of Chemistry at Auburn University inAuburn, Alabama.

Nelaine Mora-Diez for the paper entitled "Theoretical Calculations in Atmospheric Chemistry: OH and NO3 Hydrogen-Abstraction Reactions from Aldehydes." Co-authors on the paper are J. Raúl Alvarez-Idaboy, Annik Vivier-Bunge,and Russell J. Boyd. Ms. Mora-Diez is a graduate student in Dr. Boyd's labs in the Department of Chemistry at DalhousieUniversity in Halifax, Nova Scotia, Canada.

The CCG Excellence Awards have been created to stimulate graduate student participation in COMP Division activities (symposiaand poster sessions) at ACS National Meetings. Winners will receive a one-year software license of CCG's MOE (MolecularOperating Environment) for their academic research groups, in addition to travel reimbursements. The Award will cover up toUS $1,150 of the recipients travel costs associated with attending an ACS National Meeting.

Awardees are chosen on the basis of the quality and significance of the research to be presented and the strength of thesupporting materials.

Please join us in congratulating the awardees of the CCG Excellence Awards for the Chicago ACS Meeting. We will present theawards at the COMP Poster Session (Tuesday Evening in McCormick Place South).

Applications for the next round of CCG Excellence Awards will be accepted shortly. Application for these awards is a two-step process. First, one must submit an abstract through the ACS OASYS system for online paper submissions. Secondly, anapplication for the Award must be submitted to the Treasurer of the COMP division for consideration.

Deadlines for these two steps are different, to allow graduate students time to compile the additional paperwork needed tocomplete the application. Deadlines for the 2002 Spring meeting will be announced shortly. Supporting materials mustinclude an extended 1-2 page abstract for your paper along with a letter of support from your research advisor, a two-page CVand a personal statement.

All graduate students are encouraged to submit applications for the Awards. Students from the same research group areencouraged to apply. Students from research groups that have won awards at previous ACS meetings are also encouraged tosubmit applications. Awards will be given only to those individuals making presentations, and not co-authors.

Send all application materials to:

Prof. Curt M. Breneman:
Treasurer, ACS COMP Division
RPI Department of Chemistry
110 8th St.
Troy, NY 12180.
brenec@rpi.edu