Theory and Experiment: A Meeting at the Interface     MGMS Logo


The program is also available as download (PDF, ca. 650 kb)!


Wednesday, March 30th

from 11:00 Registration Foyer, Organic Institute, Henkestrasse 42


Tim Clark

13:00 Tim Clark Welcome and Introduction
13:10 Helmut Schwarz Thermal Hydrogen-Atom Transfer from Methane: A Mechanistic Exercise

Princeton and the early days

Peter Stang

14:00 Robert Glaser A Perfect Pair: Cucurbit[7]uril/Diamantane Guest with an Attomolar Dissociation Constant
14:25 Jörg Daub From degenerate Carbocations to light-stimulated Processes
14:50 Pierre Laszlo Paul and Princeton, My Recollections
15:15 Volker Buss In Search of Lost Time - 3 Years as Graduate Student in Princeton
16:30 Yitzhak Apeloig From the Norbornyl Cation to Planar Carbon and to Silicon Chemistry
16:55 Leo Radom My Interactions with Paul Schleyer:  Early Days in the Transformation to Computational Chemistry, and Beyond
17:20 Eluvathingal Jemmis     Transitions: Princeton, Munich and Erlangen
17:45 Peter Stang A biological Self-Assembly: Predesigned Metallacycles and Metallacages via Coordination
18:10 Mixer and Get-Together Foyer, Organic Institute, Henkestrasse 42

Thursday, March 31th


Erlangen (1)

Herbert Mayr

09:00 Rolf Saalfrank Progress is linked to the past - Calculated or made: what´s the difference?
09:20 Rainer Herges Photoswitchable Molecular Magnets and Their Application in Medical Imaging
09:45 Ernst-Ulrich Würthwein Where is the nodal plane? The search for highly reactive nitrogen intermediates
10:10 Matthias Bickelhaupt Aromaticity and Antiaromaticity: MO Picture of Intuitive Concepts
11:15 Holger Bettinger Polycyclic aromatics
11:40 Hans-Ullrich Siehl From superacid chemistry to 'in silico' chemistry
12:05 Matthias Bremer Liquid-crystal research in Merck
12:30 Alexander Kos iScienceSearch - the 'Google' for Chemists

Erlangen (2)

Ernst-Ulrich Würthwein

14:15 Pavel Hobza The recent view on non-covalent interactions
14:40 Yun-Dong Wu Theoretical Studies of catalytic C-H bond activation reactions
15:05 Martin Kaupp Quantum-chemical insights on mixed-valence systems
15:30 Andy Streitwieser Organolithium Chemistry
16:30 Michael Bühl NMR chemical shift calculations
16:55 Ulrike Salzner Predicting Absorption Spectra of Large Conjugated π-Systems
17:20 Koop Lammertsma Physical Organic Chemistry – the P-C connection
17:45 Herbert Mayr A quantitative approach to polar organic reactivity
19:00 Conference Dinner  

Friday, April 1st


Current Erlangen colleagues

Tim Clark

09:00 Ralph Puchta Computational Coordination Chemistry
09:20 Johann Gasteiger Chemoinformatics - Learning from Chemical Data
09:45 Sjoerd Harder The Development of Organocalcium chemistry - From Metallocenes to Applications
10:10 Karsten Meyer Crystal Structure Determination of the Nonclassical 2-Norbornyl Cation
11:15 Andreas Hirsch Spherical Aromaticity
11:40 Rik Tykwinski Can synthesis challenge theory?
12:05 Tim Clark Can theory challenge synthesis?
12:30 Walter Bauer Classical NMR and classical music: missing link and missing Paul

University of Georgia

Fritz Schaefer

14:15 Gernot Frenking Molecules With and Without Unusual Bonds: Research in the Spirit of Paul Schleyer
14:40 Judy Wu Aromaticity-Modulated Hydrogen Bonding: Making Weak Acids Strong Proton Donors
15:05 Wesley Allen Troublemaking with Paul Schleyer: Iconoclastic research on vibrational spectra and SN2 reactions
16:15 Jürgen Gauss New Molecules via the Interplay of Theory and Experiment
16:40 Clemence Corminboeuf Putting Forward Replica Exchange Molecular Dynamics and Other Tools for Computational Organic Chemistry
17:05 Peter Schreiner London Dispersion in Molecular Chemistry - Reconsidering Steric Effects
17:30 Fritz Schaefer Density Cumulant Functional Theory
17:55 Fritz Schaefer Closing Remarks