Gastgeber*innen während der Förderung
| Prof. Dr. Dr. Gereon Niedner-Schatteburg | Fachrichtung Physikalische und Theoretische Chemie, Rheinland-Pfälzische Technische Universität Kaiserslautern-Landau (RPTU), Kaiserslautern |
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| Prof. Dr. Alfred Laubereau | E11: Lehrstuhl für Experimentalphysik I: Ultraschnelle Phänomene und Quantenoptik, Technische Universität München, Garching |
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| Prof. Dr. Martin Suhm | Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Göttingen |
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| Dr. Thomas Zeuch | Institut für Physikalische Chemie, Georg-August-Universität Göttingen, Göttingen |
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| Beginn der ersten Förderung | 01.09.2003 |
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Projektbeschreibung der*des Nominierenden
| Dr. Xantheas was first to show how one can derive from approximate quantum chemical calculations almost exact values of e.g. binding energies within water clusters. He uses these data to parametrize a new type of flexible and polarizable interaction potential for water, which - for the first time ever - succeeded to model properties of both clusters of a few water molecules as well as of bulk water. This lead to a new determination of the average dipole moment per molecule of bulk water - changing the previously accepted value by 20%. Staying in Kaiserslautern Dr. Xantheas has started a new project on the hydration of metal peptide complexes. |
