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From busse@chemie.fu-berlin.de  Wed Dec  4 08:51:06 1996
Date: Wed, 4 Dec 1996 14:01:09 +0100 (MET)
From: Holger Busse <busse@chemie.fu-berlin.de>
To: molecular-dynamics-news@mailbase.ac.uk, spectroscopy-group@mailbase.ac.uk,
        CHEMISTRY@www.ccl.net
Subject: 97.10.10 Hydrogen Transfer: Experiment and Theory

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            Deutsche Bunsen-Gesellschaft f=FCr Physikalische Chemie
                      International Discussion Meeting

                 "Hydrogen Transfer: Experiment and Theory"

              Freie Universit=E4t Berlin, September 10 - 13.1997

        Organizers: H.H.Limbach and J.Manz, Freie Universit=E4t Berlin



                                Announcement

This discussion meeting will deal with all experimental and theoretical
aspects of hydrogen and proton transfer dynamics in molecules embedded in
different phases. The meeting will be held at the Dahlem Campus of the
Fachbereich Chemie of the Freie Universit=E4t Berlin. Hotel rooms are avail=
abe
at a price of 80 DM/night (single room) and 110 DM/night (double room)
including breakfast. A moderate registration fee will be taken. Those
wishing to contribute papers should submit a brief abstract of about 200
words before April 15, 1997 as a word for windows file, either per email or
diskette. Acceptance will be confirmed by 15th May 1997 and will indicate
whether the paper is accepted for oral presentation or for poster
presentation. The proceedings of the meeting will be published as a special
issue of the Berichte der Bunsengesellschaft f=FCr Physikalische Chemie. Fo=
r
inclusion in these proceedings authors should submit their manuscripts not
later than the conference itself.

All current information concerning this conference will be announced in the
Internet under   http://WWW.chemie.fu-berlin.de/~htrans

Correspondence should be sent to:

H.H.Limbach and J.Manz, Freie Universit=E4t Berlin, Fachbereich Chemie,
Takustrasse 3, D-14195 Berlin, Germany,
Tel.: +49-30-838-5375, Fax :+49-30-838-5310, EMail:
selim@chemie.fu-berlin.de

---------------------------------------------------------------------------=
-

      REGISTRATION FORM FOR ALL PARTICIPANTS INCLUDING INVITED SPEAKERS

Please complete and return the following form to: selim@chemie.fu-berlin.de

                         I would like to attend the

                      International Discussion Meeting

                 "Hydrogen Transfer: Experiment and Theory"

              Freie Universit=E4t Berlin, September 10 - 13. 1997

Name:

First Name:

Title:

Affiliation/Address:

I am interested in participation at the meeting: Yes

I would like to reserve room at the Studenthotel: single room for 1
person/double room for 2 persons, nights from ??? to ???

I would like to receive further circulars: Yes

I would like to make a contribution: poster/oral

I have been already invited for a talk: title in preliminary programme is
correct/not correct

Title:

Authors:

Affiliation:

Abstract:

---------------------------------------------------------------------------=
-

                            PRELIMINARY SCHEDULE

                      (alphabetical order of speakers)

Session A: Coherent vs. Incoherent Hydrogen Dynamics

       1. J.Bargon, Bonn, NMR: Ortho- and parahydrogen induced nuclear
          spin polarization during transition metal catalyzed reactions
       2. G.Buntkowsky, Berlin: Spin quantum fynamics of D2 in
          transition metal complexes
       3. B.Chaudret, Toulouse, France: NMR studies of transition metal
          hydrides
       4. J.P.Daudey, Toulouse, France: Ab initio studies of transition
          metal hydrides
       5. J.Eckert, Los Alamos, USA: Inelastic neutron scattering of
          transition metal hydrides
       6. O.Eisenstein, Montpellier, France: Ab initio studies of
          transition metal hydrides
       7. R.R.Ernst/R.Meyer, Z=FCrich, Switzerland: NMR hydrides and
          carboxylic acids
       8. J.M.Lluch, Barcelona, Spain: Quantum phenomena in
          transition-metal polyhydride and dihydrogem complexes.

Session B: Thermally Activated Proton Transfer Across or Through a Barrier

       1. J.Elguero, Madrid, Spain: Proton transfer and hydrogen
          bonding in solid pyrazoles
       2. B.Nickel, G=F6ttingen: Anomaly of triplet energy transfer from
          2-(2=92-hydroxyphenyl)-benzoxazole and similar compounds
          exhibiting a dual phosphorescence due to intramolecular
          proton transfer.
       3. A.J.Horsewill, Nottingham, UK: The quantum dynamics of the
          hydrogen Bond.
       4. S.Takeda, Osaka, Japan: Proton dynamics in interacting
          hydrogen bonds in crystals.
       5. H.P.Trommsdorf, Grenoble, France: Proton dynamics in hydrogen
          bonded crystals: Studies by optical spectroscopy, NMR and
          neutron scattering.

Session C: Proton Transfer in Excited States

       1. A.Douhal, Toledo, Spain: The involvement of rotational
          processes in the intramolecular proton or H-atom transfer
          cycle
       2. T.Els=E4sser, Berlin, Germany: Excited state proton transfer of
          aromatic molecules in liquids: Femtosecond reaction dynamics,
          vibrational coherence and energy redistribution.
       3. N.Ernsting, Berlin, Germany: ZEKE Spectroscopy of an ESIPT
          System: The structure of the molecular radical cation and
          implications for femtosecond spectroscopy.
       4. R.Knochenmuss, Z=FCrich, Switzerland: Mechanistic aspects of
          the naphthol-to-water excited state proton transfer reaction.
       5. M.Quack/M.Suhm, Z=FCrich, Switzerland: Spectroscopy and quantum
          dynamics of proton transfer in hydrogen fluoride complexes
          and their isotopomers.
       6. J.Waluk, Warsaw, Poland: Excited state Proton transfer in
          organic molecules.

 Session D: Proton Dynamics and Localization in Strong Hydrogen Bonds

       1. I.Alkorta, Madrid, Spain: Ab initio studies of proton
          transfer in condensed phase
       2. G.S.Denisov/N.S.Golubev, St.Petersburg, Russia, NMR, IR, UV
          studies of coupled low barrier hydrogen bonded systems
       3. M.M.Kreevoy, Minneapolis, USA: The Hydrogenic Potential
          Function in Solid Sodium Hydrogen Bis(4-nitrophenoxide)
          Dihydrate.
       4. Ch.Perrin, San Diego, USA: Symmetries of Hydrogen Bonds in
          Solution.
       5. J.Sauer, Berlin, Germany: Proton transfer in adsorption
          complexes on acidic zeolite catalysts. Ab Initio Studies.
       6. S.Scheiner, Carbondale, USA: Proton transfer in
          electronically excited states.
       7. L.Sobczyk, Wroclaw, Poland: IR, UV and NMR manifestations of
          proton transfer equilibria in phenols - amine systems.

Session E: Proton Transfer in Complex Systems: Liquids, Surfaces,
Biomolecules etc.

       1. J.Brickmann, Darmstadt, Germany: Proton Migration in Water
       2. M.Edgar, Berlin, Germany: Br=F6nstedt centers in surfaces
       3. W.Junge, Osnabr=FCck, Germany: Rotatory Catalysis by
          Proton-Translocating ATP-Synthase
       4. R.Hemplemann, Saarbr=FCcken, Germany: Hydrogen Diffusion
          Mechanism in Proton Conducting Oxides by means of
          Quasielastic Neutron Scattering.
       5. J.T.Hynes, Boulder, USA: proton dynamics in the liquid state
       6. J.Klinman, Berkeley, USA: Hydrogen Transfer in Enzyme
          Reactions
       7. K.D.Kreuer, Stuttgart, Germany: Proton transport in oxides
          and hydrooxides
       8. M.Parrinello, Stuttgart, Germany: Ab-initio Simulation of
          Proton Transfer Processes.
       9. R.L.Schowen, Lawrence, USA: The Contribution of Proton
          Bridges to the Catalytic Power of Enzymes.




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