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5 703 (0,072s) •

Project

Formation of covalent molecular complexes on surfaces driven by light induced chemical reactions (GA18-09914S)

molecular networks on insulator surfaces under UHV conditions using on-surface chemical molecule manipulation techniques at low temperature to identify the reaction pathways including intermediates and final products of th...

Physical chemistry

  • 2018 - 2020
    • •
  • 11 952 tis. Kč
    • •
  • 11 316 tis. Kč
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  • GA ČR
Project

Ab initio molecular dynamics with non-adiabatic and spin-orbit effects applied to time-dependent fluorescence (GAP208/12/0559)

spectra. For this purpose we plan to approximately include non-adiabatic and spin-orbit effects to MD with surface hopping or local diabatization techniques. We have studied non-adiabatic effects in a previous project, now...

CF - Fyzikální chemie a teoretická chemie

  • 2012 - 2017
    • •
  • 8 872 tis. Kč
    • •
  • 8 872 tis. Kč
    • •
  • GA ČR
Project

Quantum pumping of ultracold atoms and applications in Quantum Information (GAP205/10/1657)

We explore possible methods of adiabatic transport of atoms in optical lattices with the aim to find optimum processes suitable for production of entangled states will find ways of adiabatic transport of atoms that are analogous to ...

BH - Optika, masery a lasery

  • 2010 - 2012
    • •
  • 813 tis. Kč
    • •
  • 813 tis. Kč
    • •
  • GA ČR
Project

Density and Statistical Properties of Molecular Levels (IAA400550511)

The objective is a physically correct description of the statistical properties of the bound ro-vibrational molecular states of polyatomic molecules undergoing unimolecular reorganizations (isomerizations). The aim is to explore prospects of the ...

CF - Fyzikální chemie a teoretická chemie

  • 2005 - 2009
    • •
  • 1 133 tis. Kč
    • •
  • 1 133 tis. Kč
    • •
  • AV ČR
Project

Efficient methods for ab-initio non-adiabatic molecular dynamics (IAA400400810)

The aim of this project is to develop, assess, and apply efficient methods for ab-initio non-adiabatic molecular dynamics. In particular, we intend to circumvent the explicit calculation of the non-adiabatic couplings, which typical...

CF - Fyzikální chemie a teoretická chemie

  • 2008 - 2011
    • •
  • 3 067 tis. Kč
    • •
  • 3 067 tis. Kč
    • •
  • AV ČR
Project

Theoretical study of photochemical processes on ice surface (7AMB12FR016)

The goals of the project can be summarized as follows: 1. Study of metylchloride and hydrogen peroxide adsorption on the ice surface. 2. Photodissociation modeling of metylchloride on the surface of small water clusters and ice part...

CF - Fyzikální chemie a teoretická chemie

  • 2012 - 2013
    • •
  • 148 tis. Kč
    • •
  • 148 tis. Kč
    • •
  • MŠMT
Project

Modeling of interactions of cold rare-gas plasmas with ambient air (8J18FR031)

1. perform extensive ab initio calculations to deeply understand the interactions in [He/X2]+ (X = N, O) collision systems including excited electronic states and transitions between them 2. create a suite of codes for non-adiabatic dynamics...

Physical chemistry

  • 2018 - 2019
    • •
  • 108 tis. Kč
    • •
  • 108 tis. Kč
    • •
  • MŠMT
Project

Coupled model of structural standard fire test (GA16-18448S)

Fire resistance of structures is basics of fire safety of buildings already 138 years. It is determined by fire tests of elements in the horizontal and vertical furnaces, which are exposed to a rapid increase of temperature by gas burners. T...

JN - Stavebnictví

  • 2016 - 2019
    • •
  • 3 797 tis. Kč
    • •
  • 3 788 tis. Kč
    • •
  • GA ČR
Project

Design of H80 turboprop engine innovative radial compressor (TH04010210)

demonstrate the possibility to gain more than 3.1 % in adiabatic efficiency of the stage temperature of 29 °C. The higher efficiency and the consequent lower temperatures......

Aerospace engineering

  • 2018 - 2021
    • •
  • 17 204 tis. Kč
    • •
  • 10 132 tis. Kč
    • •
  • TA ČR
Project

Theory of electron transport in complex nanosystems (GA202/09/0545)

theoretical techniques to challenge the complex problem of non-adiabatic electron transfer-activated molecules, switching of photochromic molecules or non-adiabatic processes on surfaces.......

BM - Fyzika pevných látek a magnetismus

  • 2009 - 2011
    • •
  • 1 388 tis. Kč
    • •
  • 1 388 tis. Kč
    • •
  • GA ČR
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