Solved Projects and Grants

Solved grants and projects 2016

Halogen Bonding.
Grants for PhD. students and young researchers of Comenius University, UK/253/2016
Principal Investigator: MSc. Denisa Suchá

The project deals with analysis of the effect of electron correlation, selection atomic basis set and inclusion of relativistic effects on the properties of complexes with halogen and dihalogen bond, their interaction energies and charge distribution around a sigma-hole. Using the method DFT-SAPT it is possible to analyze the components of interaction energy – electrostatic, dispersion, induction, and exchange-repulsion. Simple complexes that serve as a model systems for halogen and dihalogen bond will provide important information about the importance of relativistic effects for other, larger and more compllicated systems with analogous non-covalent interaction motif.

Molecular aggregation of cationic organic dyes in colloids with layered silicate nanoparticles.
Grants for PhD. students and young researchers of Comenius University, UK/227/2016
Principal Investigator: MSc. Tímea Baranyaiová

Interaction between organic dyes with nanoparticles of layered silicates leads to molecular aggregation. The main objective of the project is a characterization of the mechanism and the reaction kinetics of dye aggregation in colloids of smectites. The UV–Vis absorption spectra measured in combination with stopped–flow rapid mixing device will be analyzed using chemometric methods. Results of the project should help to shed more light on the nature of the phenomenon of dye molecular aggregation. Metachromatic dyes can potentially be used as molecular probes for sensing surface properties of layered nanomaterials.

Resonance energy transfer in the hybrid materials based on organic laser dyes and layered silicate nanoparticles.
Grants for PhD. students and young researchers of Comenius University, UK/303/2016
Principal Investigator: MSc. Silvia Belušáková

Resonance energy transfer (RET) is a photophysical phenomenon efficient to the distances of a few nanometers. It occurs as the result of a resonance electrostatic coupling between dye molecules of specific electronic properties. The process plays significant roles in photosynthesis in green plants and is expected taking place in future solar cells working on molecular level. The project is focused on RET occurring in complex systems based on nanoparticles of an inorganic layered carrier, synthetic saponite, and adsorbed molecules of laser dyes. Selection of the dyes and chemical modifications of the materials are designed in order to achieve optimal RET yields and to suppress possible unfavorable processes leading to decrease of RET efficiency.

Selection of grants and projects solved in the past

Benchmark calculations of molecular interaction, chemical reactivity and dynamics under extreme conditions of molecular lifetime.
Scietific Grant Agency of the Ministy of Education, Science, Research and Sport; VEGA 1/0428/09
Principal Investigator: Prof. RNDr. Ivan Černušák, DrSc.
Co-Investigators: Assoc. Prof. Pavel Neogrády, Dr.; Prof. Miroslav Urban, DrSc.; Prof. Jozef Noga, DrSc.; Prof. RNDr. Vladimír Kellö, DrSc.; MSc. M. Čukovičová; MSc. P. Dedíková; MSc. L. Demovič; MSc. M. Kraus; MSc. K. Mečiarová; MSc. J. Páleníková; MSc. L. Šimová; MSc. J. Šimunek; MSc. J. Granatier
Period of solving: 2009-2011

Photoactive hybrid nanomaterials with luminescent and antimicrobial properties.
Slovak Research and Development Agency; APVV-0291-11
Principal Investigator: Institute of Inorganic Chemistry SAA: Assoc. Prof. RNDr. Juraj Bujdák, DrSc.
Co-Investigators: Department of Physical and Theoretical Chemistry: Assoc. Prof. RNDr. Juraj Bujdák, DrSc.; Assoc. Prof. RNDr. Ivan Valent, CSc.; Assoc. Prof. Ing. Marián Janek, PhD.; MSc. Silvia Belušáková; MSc. Daniel Zich
Period of solving: 2012-2015

Dynamics of Oscillatory Systems.
Scietific Grant Agency of the Ministy of Education, Science, Research and Sport; VEGA 1/0039/09
Principal Investigator: Prof. RNDr. Peter Ševčík, DrSc.
Co-Investigators: Prof. RNDr. Ľudovít Treindl, DrSc.; Prof. RNDr. Ľubica Adamčíková, DrSc.; RNDr. Anna Olexová, CSc.; Assoc. Prof. RNDr. Olga Grančičová, CSc.; RNDr. Erik Szabo; Faculty of Natural Sciences UMB: Prof. RNDr. Milan Melicherčík, CSc.
Period of solving: 2009-2011

Oscillations and Dynamic Instabilities in Chemical Systems.
Scietific Grant Agency of the Ministy of Education, Science, Research and Sport; VEGA 1/3570/06
Principal Investigator: Prof. RNDr. Peter Ševčík, DrSc.
Co-Investigators: Prof. RNDr. Ľudovít Treindl, DrSc.; Prof. RNDr. Ľubica Adamčíková, DrSc.; RNDr. Anna Olexová, CSc.; RNDr. Marta Mrákavová, CSc.; Assoc. Prof. RNDr. Olga Grančičová, CSc.; MSc. Daniel Mišicák; Faculty of Natural Sciences UMB: Assoc. Prof. RNDr. Milan Melicherčík, CSc.
Period of solving: 2006-2008

Nonlinear Dynamics of Chemical Systems, Chemical Oscillations and Spatial Patterns.
Scietific Grant Agency of the Ministy of Education, Science, Research and Sport; VEGA 1/0050/03
Principal Investigator: Prof. RNDr. Peter Ševčík, DrSc.
Co-Investigators: Prof. RNDr. Ľudovít Treindl, DrSc.; Prof. RNDr. Ľubica Adamčíková, DrSc.; RNDr. Anna Olexová, CSc.; RNDr. Marta Mrákavová, CSc.; RNDr. Zuzana Farbulová; MSc. Daniel Mišicák; Faculty of Natural Sciences UMB: Assoc. Prof. RNDr. Milan Melicherčík, CSc.
Period of solving: 2003-2005

Oscillations and Dynamic Instabilities in Nonlinear Chemical Systems.
Scietific Grant Agency of the Ministy of Education, Science, Research and Sport; VEGA 1/7301/20
Principal Investigator: Prof. RNDr. Peter Ševčík, DrSc.
Co-Investigators: Prof. RNDr. Ľudovít Treindl, DrSc.; Prof. RNDr. Ľubica Adamčíková, DrSc.; RNDr. Anna Olexová, CSc.; RNDr. Marta Mrákavová, CSc.; RNDr. IvanValent, CSc.; RNDr. Katarína Kissimonová; RNDr. Zuzana Farbulová; MSc. Katarína Pavlíková; Faculty of Natural Sciences UMB: Assoc. Prof. RNDr. Milan Melicherčík, CSc.
Period of solving: 2000-2002

Förster resonance energy transfer in the hybrid systems prepared via layer-by-layer assemblies deposition.
Grants of Comenius University for PhD. students and young researchers, UK/16/2014
Principal Investigator: MSc. Silvia Belušáková
Period of Solving: 2014