June 29-July 3, 2007

Workshop on Molecular Anions and Electron-Molecule Interactions*

was held at the Yarrow Hotel in Park City, Utah to honor the many scientific contributions of

Professor K. D. Jordan

and to honor the memory of our friend, the late Prof. Josef Kalcher.

The presentations (some in ppt and some in pdf) and supplementary material (in pdf files) of each lecturer can be accessed by clicking on the speaker's name in the program shown below. This will connect you to a site from which you can then download these files.

Friday, June 29- Arrival, room check-in. Welcome party 6-8 pm

Saturday, June 30- breakfast 7-8 am.

8:00-8:15 Welcoming remarks- Jack Simons

Thomas Sommerfeld- session chair

8:15-9:00 Mark Johnson (Water clusters anions: Isomer structure and interconversion)

9:00-9:45 Ken Jordan (Model Hamiltonians for Electron-Molecule Interactions)

9:45-10:00 Break

10:00-10:45 Dan Neumark (Spectroscopy and Dynamics of Excess Electrons in Clusters)

10:45-11:30 Jim Coe (Connecting the Lineshapes of Hydrated Electron Cluster Spectra to Bulk)

11:30-11:45 Break

Feng Wang- session chair

11:45-12:30 Kit Bowen (Photoelectron Spectroscopy of the Parent Anions of DNA's Building-Blocks)

12:30-1:15 Peter Rossky (Electron binding motifs in anionic water clusters)

Time off for lunch, recreation (Ken took several people golfing), and dinner

Sunday, July 1- breakfast 7-8 am

Jan Steckel- session chair. This session is dedicated to the memory of Prof. Josef Kalcher who died April 9, 2007.

8:15-9:00 Carl Lineberger (Anion photoelectron spectroscopy: An exciting place for theorists and

experimentalists to play together (nicely!))

9:00-9:45 Lai-Sheng Wang (Photoelectron spectroscopy of multiply charged anions.)

9:45-10:00 Break

10:00-10:45 Bob Compton (Collisions Involving Multiply-charged Anions)

10:45-11:30 Charles Desfrancois (Dipole binding and structures of neutral molecular complexes)

11:30-12:15 Alex Boldyrev (Developing New Chemical Bonding Models from Negative Ion Photoelectron Spectroscopy and Ab Initio Calculations)

12:15-4:00 Time off for lunch and recreation (many of us went on a hike in the mountains)

Richard Christie - session chair

4:00-4:45 Vince Ortiz (Anion electronic structure and correlated, one-electron theory)

4:45-5:30 Piotr Skurski (Dipole-bound anions - from crude estimates to accurate results)

Time off for dinner

Monday, July 2- breakfast 7-8 am

Mike Falcetta- session chair

8:00-8:45 Leon Sanche (Interaction of 0-15 eV electrons with DNA: Resonances, diffraction and charge transfer)

8:45-9:30 Paul Burrow (Resonances, Bio-molecules and Bond-breaking)

9:30-9:45 Break

9:45-10:30 Eugen Illenberger (Electron induced processes in free and bound molecules)

10:30-11:15 Michael Sevilla (DNA base anion radicals: From electron attachment to strand breaks)

11:15-12:00 Maciej Gutowski (Inter- and intramolecular proton transfer driven by excess electrons in bound, valence anionic states)

12:00-4:00 Time off for lunch and recreation (some of us went mountain biking)

Jack Simons-session chair

4:00-4:45 Einar Uggerud (Which comes first in one-electron reduction? The electron or the proton?)

4:45-5:30 Scott McLuckey (Electron Transfer Dissociation of Multiply-charged Peptides: The Roles of Total Charge and Identities of Charge-bearing Sites)

5:30-5:45 Break

5:45-6:30 Jack Simons (Mechanisms for peptide S-S and N-Ca bond cleavage in ECD/ETD mass spectroscopy)

Banquet in honor of K. D. Jordan- 7-9 pm

Tuesday, July 3- breakfast 7-8 am

Ken Jordan- session chair

8:00-8:45 Thomas Sommerfeld (Doorway mechanism for dissociative electron attachment)

8:45-9:30 Feng Wang (Modeling proton solvation in water: Is this easier than electron


9:30-9:45 Break

9:45-10:30 Lillian Chong (Exploring protein recognition events using theory and simulation)

10:30-11:15 David Earl (Modeling microscopic swimming in a low Reynolds number world)

11:15-12:00 Rob Coalson (Computing Ion Permeation through Protein Channels)

End of workshop and departure

* Sponsored by Oak Ridge National Lab, University of Pittsburgh Chemistry Dept. and College of Science, and the Utah Center for High Performance Computing.