05.02: Combining Spectroscopy, Calculations, and Crystallography for Solving Chemical Problems

Invited Abstracts

Columbus E-F

Wednesday, July 21





Alberto Albinati and Larry Falvello, Presiding.

08:30 - 09:00 AM 05.02.01
(W0234) 		Antonio Deriu. (IL).
The use of Neutron Elastic Scattering for the Investigation of Dynamic Processes in Disordered Systems and Biological Materials.

09:00 - 09:30 AM 05.02.02
(W0176) 		Paul Pregosin.
X-ray Crystallography and NMR Spectroscopy: Two Partners Separated by a Solvent.
et al: Silvia Rizzato. (IL)

09:30 - 10:00 AM 05.02.03
(W0230) 		W. Robert Scheidt.
Study of High-Spin Hindered Imidazole Iron(II) Porphyrinate Complexes.
et al: Chuanjiang Hu, Arne Roth, Mary Ellison, Jin An, Charles Schulz. (CL)

10:00 - 10:20 AM
Coffee Break.

10:20 - 10:50 AM 05.02.04
(W0348) 		Juergen Eckert. (IL).
Synergy between Neutron Scattering Experiments and Computational Studies on Sorbates in Porous Materials.

10:50 - 11:20 AM 05.02.05
(W0156) 		Michael B. Hall.
Separating Electronic, Steric, and Packing Interactions in Crystallographic Structures By Density Functional Theory.
et al: Charles Edwin Webster. (IL)

11:20 - 11:50 AM 05.02.06
(W0004) 		Jack Faller.
Crystallization- Induced Asymmetric Transformations and Chiral Organometallics.
et al: Nikos Sarantopoulos. (IL)

11:50 - 12:10 AM 05.02.07
(W0178) 		Ilia Guzei. (CL).
Computer Program for Ligand Solid Angle Calculations.

Contact: aca-inquiries@hwi.buffalo.edu

Last updated: Thu Jul 1 16:58:19 EDT 2004

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