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3 (0,109s)

Project

Electron-transfer dynamics in complex molecular systems (LTC17052)

Newly developed methodology for description of dynamical electron transfer processes will be applied to complex molecular systems containing transition metal atoms. This procedure will clarify time development of electron density in metal to ligand c...

CF - Fyzikální chemie a teoretická chemie

  • 2017 - 2019
  • 1 175 tis. Kč
  • 1 175 tis. Kč
  • MŠMT
Project

Theoretical Description of the Excited states of Covalently and Non-covalently Functionalized Graphenes (GA16-16959S)

computationally demanding ADC(2), EOM-CCSD(T) and TDDFT methods to explore even more extended...

CF - Fyzikální chemie a teoretická chemie

  • 2016 - 2019
  • 3 466 tis. Kč
  • 2 782 tis. Kč
  • GA ČR
Project

X-ray absorption and dichroic spectra of low-dimensional systems description and interpretation (GA20-18725S)

-dependent density functional theory (TDDFT), applied on top of the many-body LDA+DMFT...

Condensed matter physics (including formerly solid state physics, supercond.)

  • 2020 - 2022
  • 6 231 tis. Kč
  • 6 165 tis. Kč
  • GA ČR
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