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8 (0,309s) •

Project

Study of Effects of Intermolecular Interactions on the Character of Electronically Excited States of Nucleic Acids Bases (GAP208/12/1318)

relaxation will be studied employing "on-the-fly surface hopping" nonadiabatic method will be used for these studies. Nonadiabatic dynamics calculations......

CF - Fyzikální chemie a teoretická chemie

  • 2012 - 2014
    • •
  • 1 705 tis. Kč
    • •
  • 1 705 tis. Kč
    • •
  • GA ČR
Project

Nonlinear excitations in low-dimensional cooperative systems (GA202/97/0166)

(nonadiabatic) fluctuations in some nonlinear models with electronphonon interaction of the behaviour of nonadiabatic fluctuations close to a phase transition due to electron......

BM - Fyzika pevných látek a magnetismus

  • 1997 - 1999
    • •
  • 618 tis. Kč
    • •
  • 603 tis. Kč
    • •
  • GA ČR
Project

Time evolution of conjugated systems in excited states by surface hopping nonadiabatic molecular dynamics (GA19-06860S)

Exploration of the electronic surfaces represents one of the most difficult problems in molecular calculations. The first part of the project is to compare the electronic absorption spectra of studied molecules obtained by semiempirical MNDO/OMx meth...

Physical chemistry

  • 2019 - 2023
    • •
  • 5 786 tis. Kč
    • •
  • 5 310 tis. Kč
    • •
  • GA ČR
Project

Theory for dissociative recombination of cold molecular ions (GA21-12598S)

not only to understand the complex nonadiabatic processes governing the collisional...

Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

  • 2021 - 2024
    • •
  • 2 928 tis. Kč
    • •
  • 2 928 tis. Kč
    • •
  • GA ČR
Project

Modeling of Electronically Excited States in Nucleic Acids Combined Theoretical and Experimental Study (LH11021)

The goal of this study is a combined theoretical and experimental study, which will improve the understanding of interactions between nucleobases in their excited states and the influence of these interactions on the excited state dynamics of nuleoba...

CF - Fyzikální chemie a teoretická chemie

  • 2011 - 2013
    • •
  • 638 tis. Kč
    • •
  • 638 tis. Kč
    • •
  • MŠMT
Project

Electron-driven atomic and molecular processes - development of ab initio methods (GA19-20524S)

construction of the discrete-state-in-continuum models for nonadiabatic processes...

Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)

  • 2019 - 2022
    • •
  • 5 940 tis. Kč
    • •
  • 4 677 tis. Kč
    • •
  • GA ČR
Project

Molecular dynamics of essential building blocks of biomolecules experiments in molecular beams and theory. (GA14-14082S)

hopping” dynamics simulations with nonadiabatic coupling. To study the effects...

CF - Fyzikální chemie a teoretická chemie

  • 2014 - 2016
    • •
  • 5 599 tis. Kč
    • •
  • 5 599 tis. Kč
    • •
  • GA ČR
Project

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

The aim of this project is to develop, assess, and apply molecular dynamics (MD) methods suitable for interpretation and simulation of time-dependent fluorescence spectra. For this purpose we plan to approximately include non-adiabatic and spin-orbit...

CF - Fyzikální chemie a teoretická chemie

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