NUCLMonday, March 29, 2004

1:30 PM-4:55 PM Anaheim Convention Center -- 209A, Oral
Actinide Interactions with Environmentally-Related Matrices
Presiding:Tobias Reich
Organizer, Presiding:Bruce D. Honeyman
1:30 PM 46Actinide Quantum chemistry: A modeling tool to study coordination chemistry and thermodynamics
Valérie Vallet
2:15 PM 47Computational models for environmental chemistry: Actinide binding to carboxylic groups
Notker Roesch, Florian Schlosser, Lyudmila Moskaleva, Sven Krueger
2:40 PM 48Electronic structure of actinide complexes in the environment
Krishnan Balasubramanian
3:05 PM Intermission
3:25 PM 49Theoretical approaches to the spectroscopy of actinide compounds
Russell M. Pitzer
3:50 PM 50Quantum chemistry study on hydration of An(III) and An(IV) ions
Satoru Tsushima, Tianxiao Yang
4:15 PM 51Structure and bonding of uranyl hydroxide and cyanide complexes in solution
Jason L. Sonnenberg, P. Jeffrey Hay, Richard L Martin, Bruce E. Bursten
4:35 PM 52Theoretical investigations of the uranyl-salophene affinity to anions
Kamil Wojciechowski, Marcin Brynda, Tomasz A. Wesolowski

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The 227th ACS National Meeting, Anaheim, CA, March 28-April 1, 2004