Once upon a time in Mariapfarr . .

REACTION DYNAMICS

Mariapfarr Winter Workshop of the Austrian Chemical Society
16-19 February, 1999

Organized by Werner Jakubetz, Institut für Theoretische Chemie und Strahlenchemie, Universität Wien
werner.jakubetz@univie.ac.at

Lectures

There is downloadable material for Balint-Kurt, Jaquet, Manthe, and Sutcliffe available.

The lectures were published in W. Jakubetz (Ed.), Lecture Notes in Chemistry, vol. 77.

Gabriel B. Balint-Kurti (Bristol)
Time-Dependent Wavepacket Calculations in Reactive Scattering
Zipped Word document balint.zip
 
Gert D. Billing (Copenhagen)
A.  Overview of Reactive Scattering
B.  Mixed Quantum-Classical Dynamics
No download material
 
Ralph Jaquet (Siegen)
Quantum Reactive Scattering: The Time-independent Approach
Zipped PS file jaquet99.zip
 
Uwe Manthe (Freiburg)
Reaction Rates
Zipped TIF files manthe99.zip

Mini-Symposium

List of Papers

M1 09.00-09.25 B. Sutcliffe (Bruxelles) Some mathematical problems in the description of dissociating molecules GZipped PS document sutcliffe.ps.gz
M2 09.25-09.50 W. Quapp (Leipzig) Reaction Path Bifurcation: Valley-Ridge-Inflection Points do not generally form isolated points on a PES
M3 09.50-10.15 C. Daniel (Strasbourg) Metal-to-ligand charge-transfer photochemistry:
Quantum chemistry and dynamics of the model system HMn(CO)3(H-DAB)
M4 10.15-10.40 J. Mavri (Ljubljana) Simulation of proton transfer processes
  10.40-11.10

Coffee
break

M5 11.10-11.35 J. Kalcher (Graz) Negative ions: General aspects and some diatomic examples
M6 11.35-12.00 A. Parusel (Wien) Density Functional calculations with Configuration Interaction for excited states of organic donor-acceptor systems
M7 12.00-12.25 Gernot Katzer (Graz) Bond strengthening in silylenes and carbenes by deformation of bond angles

Photos

von den (meisten) Tagungsteilnehmern und der Umgebung von Mariapfarr.

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