NUCLSunday, August 19, 2007

1:20 PM-5:00 PM Boston Park Plaza -- Franklin Rm, Oral
Computational Actinide and Transactinide Chemistry: Progress and Perspectives
Structure and Bonding
Organizers:Jun Li
Peter Schwerdtfeger
Nick Kaltsoyannis
Presiding:Erich R. Vorpagel
1:20 PMMulticonfigurational quantum chemistry for actinide containing systems: From isolated molecules to condensed phase
Laura Gagliardi
2:00 PMWhy are there (almost) no molecular actinide complexes containing unsupported metal-metal bonds?
Nikolas Kaltsoyannis, German E Cavigliasso
2:40 PMQuantum chemical calculations of structural properties and spectroscopy of solvated actinide ions: Theory and applications
Valérie Vallet
3:20 PMIntermission
3:40 PMCombined infrared and computational studies of discrete uranyl trianion complexes
Gary S. Groenewold, Mike Van Stipdonk, Garold L. Gresham, Jos Oomens, Bert de Jong, Anita K. Gianotto, Michael E. McIlwain
4:20 PMCombining computational modeling and gas-phase experiments to gain insight in actinide chemistry
Wibe A. de Jong, Gary S. Groenewold, Michael J. Van Stipdonk

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The 234th ACS National Meeting, Boston, MA, August 19-23, 2007