| Thursday 28 July |
| |
Hour |
Activity |
| 07:30 - 09:00 |
Breakfast |
| 09:00 - 09:30 |
Opening presentations |
| |
Session chairman: Z. Smedarchina |
| 09:30 - 10:20 |
B. Meier:
Quantum tunneling in the solid as seen by NMR |
| 10:20 - 11:10 |
A. Warshel: Nuclear quantum mechanical contributions to enzyme catalysis: Critical tests of a popular hypothesis |
| 11:10 - 11:40 |
Coffee Break |
| |
Session chairman: V. A. Benderskii |
| 11:40 - 12:30 |
C. Enss: Interplay between atomic tunneling systems and nuclear spins |
| 12:30 - 12:50 |
M. V. Basilevsky: Non-markovian modification of the golden rule rate expression |
| 12:50 - 13:10 |
G. Buntkowsky: Dynamics of deuterium interacting with the surface of catalytic active nanoparticles |
| 13:10 - 13:30 |
A. Fernández-Ramos: Photogenesis of vitamin D3 |
 |
| 13:30 - 16:00 |
Lunch |
|
| 16:00 - 19:30 |
Poster session |
| Friday 29 July |
| |
Hour |
Activity |
| 07:30 - 09:00 |
Breakfast |
| |
Session chairman: H. P. Trommsdorff |
| 09:00 - 09:50 |
J. Eckert: Characterization of the interaction of molecular hydrogen with porous materials by rotational tunneling spectroscopy |
| 09:50 - 10:40 |
V. A. Benderskii: Multidimensional instanton approach as a rigorous semiclassical method |
| 10:40 - 11:10 |
Coffee Break |
| |
Session chairman: D. G. Truhlar |
| 11:10 - 12:00 |
M. Quack: Electroweak quantum dynamics of parity violation and stereomutation tunnelling in chiral molecules |
| 12:00 - 12:20 |
H. P. Trommsdorff: Probing vibrational excitations by inelastic X-ray scattering |
| 12:20 - 12:40 |
A. Kohen: Tunneling and coupled motion in enzymatic catalysis |
| 12:40 - 13:00 |
J. Mavri: Car-Parrinello study of the OH stretching envelope of a strong hydrogen bond in picolinic acid N-oxide in the solid state |
|
| 13:00 - 16:00 |
Lunch |
|
| |
Session chairman: J. Eckert |
| 16:00 - 16:50 |
G. Reiter : Tunneling in water with acid and base impurites |
| 16:50 - 17:10 |
D. V. Shalashilin: Exact fully quantum treatment of multi-dimensional tunneling with the help of coupled coherent states |
| 17:10 - 17:30 |
A. Couson: Interplay of quantum methyl rotation and crystal structure |
| 17:30 - 17:50 |
C. Jaffé: Semiclassical tunneling through dynamical barriers in a multi-dimensional setting |
| 18:30 - 20:30 |
Guided visit to the old city |
| Saturday 30 July |
| |
Hour |
Activity |
| 07:30 - 09:00 |
Breakfast |
| |
Session chairman: A. Fernández Ramos |
| 09:00 - 09:50 |
D. G. Truhlar: Multi-dimensional tunneling in enzyme kinetics |
| 09:50 - 10:40 |
M. Hippler: High-resolution infrared laser spectroscopy: New experiments to study the tunneling dynamics of molecules and clusters in the gas phase |
| 10:40 - 11:10 |
Coffee Break |
| |
Session chairman: A. Warshel |
| 11:10 - 12:00 |
N. Marsh: Quantum tunneling in enzymes |
| 12:00 - 12:50 |
N. García : Tunneling versus thermal activation in low lying excited levels: The role of magnetic oxides in magnetoresistance |
| 12:50 - 13:10 |
J. Kohanoff: Tunneling vs isotope effect in H-bonded crystals: the case of KDP |
| 13:10 - 13:30 |
M. Shibl: Dynamical study of the tautomerism in porphycene and its isotopomers- Concerted verus stepwise mechanisms |
|
| 13:30 - 16:00 |
Lunch |
|
| 16:30 |
Excursion to "Rias Baixas" |
| Sunday 31 July |
| |
Hour |
Activity |
| 07:30 - 09:00 |
Breakfast |
| |
Session chairman: H. H. Limbach |
| 09:00 - 09:50 |
M. Orrit: Optical probing of single tunneling systems |
| 09:50 - 10:40 |
J. M. Lluch: Enzyme dynamics and tunneling in the hydrogen abstraction catalyzed by soybean lipoxygenase-1. A simulation on a QM(PM3/d-SRP)/MM PES |
| 10:40 - 11:10 |
Coffee Break |
| |
Session chairman: M. García - Viloca |
| 11:10 - 12:00 |
C. S. Tautermann: Investigation of hydrogen transfer reactions on transition metal surfaces by time independent scattering calculations |
| 12:00 - 12:20 |
M. Prager: The influence of molecular excitation on the lattice dynamics in methane clathrate |
| 12:20 - 12:40 |
S. Ferrer: Theoretical estimation of lactate dehydrogenase rate constant using free energy perturbation and multidimensional quantum tunneling dynamics |
| 12:40 - 13:00 |
Z. Lalowicz: Deuteron NMR spectra of ammonium ion isotopomers at low temperatures |
|
| 13:00 - 16:00 |
Lunch |
|
| |
Session chairman: J. Mavri |
| 16:00 - 16:20 |
J. M. López del Amo: Kinetic isotope and tunneling effects of solid state single and double proton transfers |
| 16:20 - 16:40 |
Z. Smedarchina: Tunneling criteria in biology: How much tunneling is there in the criteria? |
| 16:40 - 17:00 |
F. Fillaux: From microscopic to macroscopic quantum tunneling: Proton transfer dynamics in the KHCO3 crystal |
| 17:00 - 17:20 |
F. P. Temme: Uniform (endohedral) NMR spin systems under
SU(2)xS2n: A role for "T" invariance in auxiliary label-defined tensorial Liouville formalism and carrier space-based projective mappings; overview of isotropic media NMR properties of
Ne[13C]2n&[14N]2n≥20 hetero-fullerene analogs
|
|
| 20:00 |
Closing Banquet |
