Posters

M. Hatanaka: Theoretical study of the thermometer based on luminescent lanthanide compounds

A. Ishikawa: Harmonic Solvation Model A Proposal for Quantum Chemical Approach for Accurate Condensed-Phase Thermochemistry

Y. Kurokawa: Solving the Schrödinger equation of molecules by the FC-LSE method starting from Hartree-Fock MO’s

M. Lintuluoto: Molecular dynamics simulation study on two-state equilibrium of CD44 hyaluronan binding domain

T. Miyahara: Indicator of the Stacking Interaction in the Double-Helical Structures of DNA and RNA ChiraSac Study

A. Muraoka: Application of phenylenes to organic EL devices

S. Yamanaka: Development and application of linear response function of bond-orders

P. Andrikopoulos: Efficient Photostitching of Peptide Ion Complexes in the Gas Phase with a photo-Leucine Zipper

A. Antušek: Interface structure and thermodynamic properties of nano-layers

D. Bím: RNA model cleavage promoted by the novel artificial biomimetic agent Experimental and theoretical study

L. Bučinský: Pseudo Kramers symmetry

I. Černušák: Cesium monoxide and its ions: ground and low-lying excited states

F. Holka: Anomeric and exo anomeric effects in 2-methoxytetrahydropyran and 2-methoxythiane

S. Kedžuch: Explicitly Correlated MP2 Method Based on Optimized Thouless Expansion

S. Khanniche: Modelling of the behaviour of iodine oxides: Implications for atmospheric chemistry and nuclear safety

L. Konečný: Calculation of non-linear optical properties from relativistic real-time time-dependent DFT

M. Kývala: Spin–orbit coupling for nonadiabatic molecular dynamics

P. Lazar: The surface energies of solids from random phase approximation

M. Malček: Molecular Dynamics and DFT study of reduction processes of 2,6-dichlorophenolindophenolate (DCIP) in solutions

V. Malkin: Calculations of the EPR g-tensor using unrestricted two- and four-component relativistic approaches within the HF and DFT Frameworks

J. Noga: Presentation of PRACE

M. Novotný: Ab initio and DFT benchmarking of tungsten nanoclusters and tungsten hydrides

M. Pitoňák: Noncovalent Interaction Investigations using Off-Center Gaussian Functions: Post-second-order Correlation Treatment

J. Šimunek: Electronic and vibrational circular dichroism study of isoleucine-derived vanadium (V) complexes

M. Sudolská: Nature of Absorption in Oxygen-Doped Graphitic Carbon Dots

M. Veis: Charge Transfer by Regularization