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4 218 (0,142s) •

Project

Quantum chemistry on quantum computers (GA203/08/0626)

The aim of this project is to develop methods for theoretical chemistry calculations on quantum computers. The exact solution of Schroedinger equation for a molecule within a finite basis set, i.e. full CI, has on a classical comput...

CF - Fyzikální chemie a teoretická chemie

  • 2008 - 2012
    • •
  • 1 896 tis. Kč
    • •
  • 1 896 tis. Kč
    • •
  • GA ČR
Project

Processes of Electron, Proton and Energy Transfer in Gaseous and Condensed Phase - Molecular Science Center. A Elementary Processes and Quantum Chemistry (ME 188)

Program in 1999 is coordinated reasearch in ion chemistry with these aims: 1. Experimental and theoretical studies of elementary chemical reactions and charge transfer in sysytem containing molecular dications and relevant theor...

CF - Fyzikální chemie a teoretická chemie

  • 1998 - 2001
    • •
  • 2 390 tis. Kč
    • •
  • 740 tis. Kč
    • •
  • MŠMT
Project

Theoretical Study of the Structure and Reaction Mechanism of Alcohol Dehydrogenase (IAA4055103)

the areas of biochemistry, vioinorganic chemistry, and quantum chemistry. The general at the atomic and electronic level. It will be obtained from interplay between theoretical apply the accurate methods of quantum che...

CE - Biochemie

  • 2001 - 2003
    • •
  • 1 665 tis. Kč
    • •
  • 786 tis. Kč
    • •
  • AV ČR
Project

Dynamicss of Solvated Electrons in Molecular Clusters Experimental and Theoretical Approach (GAP208/11/0161)

Solvated electrons are important in radiation chemistry, physics and biology of aqueous systems. The recent interest has been motivated by the key role, which radiation damage. In thisproject experimental and theoretical investigati...

CF - Fyzikální chemie a teoretická chemie

  • 2011 - 2013
    • •
  • 6 261 tis. Kč
    • •
  • 6 261 tis. Kč
    • •
  • GA ČR
Project

Discrete momentum representation of Lippmann-Schwinger equation - a new theoretical tool for interpreting electron energy loss spectra of polyatomic molecules (GA203/99/0839)

This is a proposal for a continued scientific collaboration of my theoretical chemistry group at the J. Heyrovský Institute of Physical Chemistry, Academy of Sciences Department of Chemistry, University of Colorado...

CF - Fyzikální chemie a teoretická chemie

  • 1999 - 2001
    • •
  • 1 364 tis. Kč
    • •
  • 801 tis. Kč
    • •
  • GA ČR
Project

Theoretical and experimental research of lementar process dynamics (ME 561)

quantum chemistry; energetical data...

CF - Fyzikální chemie a teoretická chemie

  • 2002 - 2004
    • •
  • 1 436 tis. Kč
    • •
  • 417 tis. Kč
    • •
  • MŠMT
Project

Determination of ecotoxic substances using carbon paste electrodes (GA203/01/1609)

The project is based on the theoretical and instrumental potential as well as upon the personal potential of theoretical and practical experience of applicants from both Departments of Analytical Chemistry at the Charles Un...

CB - Analytická chemie, separace

  • 2001 - 2003
    • •
  • 1 232 tis. Kč
    • •
  • 662 tis. Kč
    • •
  • GA ČR
Project

Theoretical and experimental study of intensities in vibrational and electronic electron energy loss spectroscopy of molecules (GA203/96/1072)

This is a proposal for a continued scientific collaboration of my theoretical chemistry group at the J. Heyrovský Institute of Physical Chemistry, Academy of Sciences Department of Chemistry, University of Colorado...

CF - Fyzikální chemie a teoretická chemie

  • 1996 - 1998
    • •
  • 923 tis. Kč
    • •
  • 792 tis. Kč
    • •
  • GA ČR
Project

Photochemical mechanisms studied by means of quantum chemistry, quantum dynamics and molecular simulations Method developement and applications (GP203/07/P449)

The main subject of the project is the theoretical study of photochemical mechanisms. Methods of quantum chemistry, quantum dynamics and statistical mechanics theoretical techniques for the study of chemical reactions in th...

CF - Fyzikální chemie a teoretická chemie

  • 2007 - 2009
    • •
  • 675 tis. Kč
    • •
  • 675 tis. Kč
    • •
  • GA ČR
Project

Theoretical and Experimental Studies Related to the Prebiotic Chemistry of Nucleic Acids (GAP208/10/2302)

This project is aimed at investigating the prebiotic chemistry of nucleic acids components by means of a combined experimental-theoretical approach. From the side of theory we will use mainly quantum chemical calculations, while the...

CF - Fyzikální chemie a teoretická chemie

  • 2010 - 2013
    • •
  • 8 493 tis. Kč
    • •
  • 8 493 tis. Kč
    • •
  • GA ČR
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