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
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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:
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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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