Session: Theoretical and Computational Chemistry


INOR		Sunday, August 19, 2007

9:00 AM-11:20 AM BCEC -- 203, Oral
Theoretical and Computational Chemistry

Organizer:	Bernadette T. Donovan-Merkert
Presiding:	R. B. King
9:00 AM	14	Mechanism of molecular oxygen insertion in a Pd(II)-H bond Richard P Muller, Richard A Kemp, Karen I. Goldberg
9:20 AM	15	Ir-Pincer dihydrogen complex catalyzed dehydrogenation of ammonia-borane differs from ethane dehydrogenation Ankan Paul, Charles B. Musgrave, Paul Zimmerman
9:40 AM	16	Macrocyclic isolobal analogy Mohammad A. Omary, Xiaoping Wang
10:00 AM	17	Binuclear metal carbonyl nitrosyls: Comparison with isoelectronic metal carbonyl derivatives R. Bruce King, Hongyan Wang, Yaoming Xie, Henry F. Schaefer III
10:20 AM	18	Computational insights into degenerate ethylene exchange with a Grubbs type catalyst Charles Edwin Webster
10:40 AM	19	Electronic effects of phosphine substituents in cross-coupling processes Christophe Gourlaouen, Feliu Maseras
11:00 AM	20	Nonlinear optical properties of cyclometallated Ir(III) complexes: A combined experimental and TDDFT investigation Filippo De Angelis, Simona Fantacci, Antonio Sgamellotti, Dominique Roberto, Renato Ugo
	21	Paper Withdrawn

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