Posters
List of Invited 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
List of Posters
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