 |
A. Aguilar |
Dep.
Quím. Fís., Univ. Barcelona (Spain) |
"Experimental
RF-GIB and ab initio study of some dehydrohalogenation gas phase
reactions induced by Li+ in their ground electronic state" |
|
F.
J. Aoiz |
Dep. Quím. Fís., Fac. CC. Químicas, UCM (Spain) | "A statistical quasiclassical trajectory model for insertion reactions: Application to the H+ + H2 reaction" |
 |
V. Aquilanti | Univ.
Perugia (Italy) |
"Semiclassical disentangling of spin-networks: exact computational and large angular momentum asymptotics of 3nj-symbols" |
 |
O. Atabek |
Lab.
Photophys. Molec., CNRS, Orsay (France) |
"Intense laser assisted molecular dissociation dynamics: From simulation to control" |
|
L. C. Balbás | Dep. Fis. Teor, Univ. Valladolid (Spain) | "Theoretical study of the structural and electronic properties of aggregates and crystals formed from 3d-metal doped silicon clusters as super-molecular units" |
|
M. Barranco |
Dep.
Estruct. Constit. Materia, Univ. Barcelona (Spain) |
"Calcium atoms attached to mixed helium nanodroplets: A probe for the 3He-4He interface" |
|
P. Bargueño |
IFF, CSIC,
Madrid (Spain)
Fac. Quím., Univ.
Salamanca (Spain)
|
"Detection of parity violation in chiral molecules by external tuning of electroweak optical activity" |
|
A. Beswick |
IRSAMC, Univ. Paul Sabatier, Toulouse (France) | "Vector correlation analysis for unimolecular and bimolecular reactions" |
 |
E. Brändas |
Quantum
Chem., Uppsala Univ. (Sweden) |
"Microscopic self-organization and self-referential systems" |
|
O. D. Castaño |
Dep.
Química-Física, Univ. Alcalá de Henares, Madrid
(Spain) |
"Photoinduced energy, electron and photon transfer: A computational approach" |
|
G. Corongiu |
Dep.
Sci.
Chim. & Ambientaly, Como (Italy) |
"Ground and excited states of the H2 molecule" |
 |
Inst.
Fis.,
Univ. Sao Paulo (Brasil) |
"Theoretical
study of solvent effects on pterin acid/basic equilibrium and
UV-visible spectra"
|
|
|
A. Dubois |
Univ.
Pierre
et Marie Curie, CNRS, Paris (France) |
"Dynamics of bielectronic processes in intermediate ion-atom and ion-molecule collisions" |
|
Inst.
Fis.
Fundamental, CSIC, Madrid (Spain) |
"Wave-function-based
quantum-chemistry-type
approaches to describe doped He clusters and its interaction with
metal-oxide surfaces"
|
|
 |
M. Ehara | Inst. Mol.
Science, Okazaki (Japan) |
"High precision theoretical spectroscopy of artificial fluorescent biosensor, organic light emitting diodes and inner-shell electronic processes" |
 |
Dep.
Chem.,
TCCC, Univ. Crete (Greece) |
"Bifurcation
phenomena in vibrationally excited small and large molecules and their
spectrocopic signatures"
|
|
|
B. Fernández | Quím.
Teo. Comput., Univ. Santiago de Compostela (Spain) |
"Accurate evaluation of interaction properties" |
|
F. Flores |
Dep. Fis. Teor. Mat. Condens. UAM (Spain) | "Level alignment at metal-organic interfaces, energy gap selfinteraction corrections and Density Functional Theory" |
 |
A. V. Glushkov |
Odessa University (Ukranie) | "Energy approach and QED lines moments technique for atoms and nuclei in a strong laser field" |
 |
T, González-Lezana | Inst. Fis. Fundamental, CSIC, Madrid (Spain) | "Rare gas trimers: the Efimov effect and thermal properties" |
 |
J.
R. Gour |
Michigan
State Univ., East Lansing (USA) |
"Active-space e--attached and ionized equation-of-motion coupled-cluster methods" |
 |
M. Hakala | Dep. Physics, Univ. Helsinski (Finland) | "Electronic properties of molecular structures by inelastic X-ray scattering" |
|
N. Halberstadt |
Lab. Collis. Agreg. React. Univ. Paul Sabatier-CNRS, Toulouse (France) | "Fragmentation dynamics inside helium nanodroplets" |
|
M.I. Hernández | Inst. Fis. Fundamental, CSIC, Madrid (Spain) | "Dimers of open-shell oxygen molecules: from ab initio interaction potentials to comparison with experiments" |
|
J. Jellinek | Chem. Div., Argonne National Lab. (USA) | "Response properties of finite systems: An atomic-level analysis" |
 |
J. Karwoski | Inst. Phys., Nicolas Copernicus Univ., Torun (Poland) | "A separable model of N interacting particles" |
 |
A. Kuleff |
Inst.
Phys.
Chem., Heidelberg Univ. (Germany) |
"Ultrafast electron dynamics following outer valence ionization" |
|
P. Larrégaray |
Inst. Sci. Molec. -UMR CNRS, Bordeaux (France) | "Reaction dynamics of complex forming triatomic processes: Recent developments around phase space theory" |
|
P. Lazzeretti |
Univ. Studi Modena e Reggio Emilia, Modena (Italy) | "Topological models of magnetic-field induced electron current density for the interpretation of molecular magnetic response" |
|
R. Lefebvre |
Univ. Pierre et Marie Curie, Paris (France) | "Exceptional points in molecular photodissociation" |
|
J. Maruani |
Lab.
Chim.
Phys., CNRA, Paris (France) |
"Protocols for assessing relativistic, relaxation and correlation contributions, and charge-transfer effects for 1s-, 2s-, 2p- and 1s-2p- core ionization energies in elements up to Barium" |
|
A. Mavridis | University of Athens (Greece) | "On the bonding elucidation of the three common acids H2SO4, HNO3 and HClO4" |
|
J. S. Medina | Inst. Fis. Fundamental, CSIC, Madrid (Spain) | "Molecular dynamics simulations of rigid and flexible water models: Temperature dependence of viscosities" |
|
A. B. McCoy | Dep.
Chem.,
Ohio State University (USA) |
"Recent developments in quantum Monte Carlo approaches for studying rotation/vibration spectroscopy and dynamics of molecules that undergo large amplitude vibrational motions" |
 |
D. C. Moule |
Chem. Dep., Brock Univ., Ontario (Canada) | "The role of rotational relaxation in the intersystem crossing between triplet and singlet electronic states" |
|
J. T. Muckerman | Chem. Dep., BNL, Upton, NY (USA) | "Quantum chemical calculations of water oxidation at the semiconductor-aqueous solution interface" |
 |
D. Mukherjee | Ind. Assoc. Cult. Science, Kolkata (India) | "Development and applications of spin-adapted multi-reference coupled cluster formalisms using multi-exponential type cluster ansatz: State-universal and state-specifics approaches" |
|
H. Nakai | Dep.
Chem.
Biochem., Waseda Univ. (Japan) |
"Novel approaches for core excitations and weak interactions in density functional theory" |
|
H. Nakatsuji | Quantum Chem. Res. Inst., Kyoto (Japan) | "Recent development in the general method of solving the Schrödinger equation" |
|
M.A.Chaer Nascimento |
Dep.
Fis.Quim., Univ. Fed. Rio de Janeiro (Brasil) |
"The chemical bond as a quantum interference phenomenon" |
|
J. Navarro
|
IFIC,
Univ.
Valencia-CSIC (Spain) |
"Excitation
spectra of small para-Hydrogen clusters"
|
|
M. Nest | Theor. Chem., TU Munich (Germany) | "Correlated many electron dynamics from different perspectives" |
|
J. V. Ortiz |
Dep. Chem. and Biochem., Auburn Univ. (USA) | "Generalizations and limitations of quasiparticle pictures of molecular electronic structure" |
 |
I.
Paidarova |
J.
Heyrovský Inst. Phys. Chem., Prague (Czech Republic) |
"From microscopic to macroscopic time scales: Towards a unified theory of dynamics and thermodynamics" |
|
P.
Piecuch |
Michigan
State Univ., East Lansing (USA) |
"Extending electronic structure theory to complex molecular problems: Local correlation coupled-cluster and correlation energy scaling methodologies" |
 |
E. Pollak |
Chem.
Phys.
Dep. , Weizmann Inst. Sci., Rehovot (Israel) |
"Classical theory of atom-surface rainbow scattering" |
 |
M. Quack |
Lab.
Phys.
Chem., Zurich (Switzerland) |
"Quantum dynamics of chiral molecules including electroweak parity violation" |
|
M. L. Senent | DAMIR,
IEM,
CSIC (Spain) |
"CCSD(T) study of the far-infrared spectrum of various isotopomers of ethyl-methyl-ether" |
 |
L.
Shuhua |
Inst.
Theo.
Comp. Chem., Nanjing Univ. (China) |
"Energies, structures and properties of large molecules from ab initio energy-based fragmentation approaches" |
|
E. Suraud | IRSAMC, Univ. Paul Sabatier, Toulouse (France) | "Dynamics of irradiated clusters and molecules" |
 |
A. Tadjer | Dep.
Phys.
Chem., Univ. Sofia (Bulgaria) |
"Symmetry-based theoretical approach to spin-hybrid molecular magnets" |
|
O.
Tapia |
Physical Chem., Uppsala Univ. (Sweden) | "Quantum linear superposition theory for chemical processes" |
|
L. M. Tel |
Dep.
Quím. Fís., Fac. Quím., Univ. Salamanca (Spain) |
"The G-particle hole hypervirial equation: Iteratice solution and computational efficiency enhancements" |
|
C. Valdemoro | Inst. Fis. Fundamental, CSIC, Madrid (Spain) | "Some theoretical questions about the G-particle-hole hypervirial equation" |
 |
A. J. C. Varandas | Dep.
Química, Univ. Coimbra (Portugal) |
"Recent progress on global potential energy surfaces: an ab initio cost-effective strategy" |
 |
O. Vasyutinskii | Russ. Acad Sci, Ioffe Inst, St Petersburg (Russia) | "Orbital polarization of the chemical reaction products: determination of the dynamical amplitudes and phases" |
|
S. Vázquez |
Dep.
Quim.
Fis., Univ. Stgo de Compostela (Spain) |
"Dynamics simulations of collisions of gases with a perfluorinated self-assembled monolayer" |
 |
A. Vibók |
Dep.
Theor.
Phys., Univ. Debrecen (Hungary) |
"Radiationless decay of excited states of tetrahydrocannabinol through the S1-S0 conical intersection" |
|
H.-J. Werner |
Inst.
Theor.
Chem., Univ. Stuttgart (Germany) |
"Explicitly correlated local coupled cluster methods" |
|
A. Zanchet | Inst. Fis. Fundamental, CSIC, Madrid (Spain) | "H2 reactivity on gold nano-structures: A cluster and embedding potential approach" |
|
J.Z.H. Zhang | Dep.
Chem.,
New York Univ. (USA) |
"Quantum mechanical study of protein structure and dynamics" |
The schedule of the program updated on Wed Sep 9 is here
A .pdf version of the book of abstracts updated on Wed Sep 9 can be downloaded here
A template
.doc file for
the abstract of your
communication (either poster or talk) can be downloaded herePlease submit your abstract here
(flags from http://www.3dflags.com)