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8 705 (0,101s) •

Project

New perspectives in magnetic fabric interpretation through 3D microstructural analysis, numerical modelling and quantum mechanical description (GA22-12828S)

of theoretical quantum-mechanical calculations enables to explore the dependence of magneto properties using recent progress in microstructure 3D imaging and quantum-mechanical calculations of ph...

Geology

  • 2022 - 2024
    • •
  • 5 553 tis. Kč
    • •
  • 5 553 tis. Kč
    • •
  • GA ČR
Project

A European Laboratory for Multireference Quantum Chemical Methods (OC D23.001)

Development of multireference quantum chemical methods for accurate calculations of polyatomic molecules, their spectroscopic properties and chemical reactivity......

CF - Fyzikální chemie a teoretická chemie

  • 2001 - 2005
    • •
  • 2 155 tis. Kč
    • •
  • 2 155 tis. Kč
    • •
  • MŠMT
Project

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

calculations and experiments (ab initio calculations, X-ray absorption spectroscopy the areas of biochemistry, vioinorganic chemistry, and quantum chemistry. The general apply the accurate methods of quantum

CE - Biochemie

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

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

methods with the same spectra calculated by ab initio methods and/or experimental data. The stationary spectra of selected molecules will be determined using a broad spectrum of ab be coupled with many ab initio <...

Physical chemistry

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

Photochemical reactions in complex environments Theoretical study (ME08086)

Development of methods of ab initio quntum molecular dynamics and application on biologically or chemically relevant systems....

CF - Fyzikální chemie a teoretická chemie

  • 2008 - 2012
    • •
  • 1 091 tis. Kč
    • •
  • 1 091 tis. Kč
    • •
  • MŠMT
Project

Hydration and solvation of building blocks of biopolymers (IAA400550808)

will be characterized by classical molecular dynamics, mechanics and mainly by the ab initio quantum of complexes using cheaper methods, the most stable structures will be studied at ab initio of interaction energ...

CF - Fyzikální chemie a teoretická chemie

  • 2008 - 2012
    • •
  • 2 022 tis. Kč
    • •
  • 2 022 tis. Kč
    • •
  • AV ČR
Project

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

mechanisms. Methods of quantum chemistry, quantum dynamics and statistical mechanics and application of the ab initio quantum molecular dynamics method. In this approach photochemical reactions w...

CF - Fyzikální chemie a teoretická chemie

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

Influence of the Enviroment on the Stability and Geometry of DNA Building Blocks (KJB400550518)

by classical molecular dynamics, mechanics and the highest quality quantum chemical at classical level, the most stable and the most populated structures will be studied at ab and the calculated IR spectra will be...

CF - Fyzikální chemie a teoretická chemie

  • 2005 - 2007
    • •
  • 785 tis. Kč
    • •
  • 785 tis. Kč
    • •
  • AV ČR
Project

Structure and dynamics of DNA (GA203/97/0029)

The aim of the project is to understand structural flexibility of the DNA molecule and its internal dynamics by combining ab initio quantum chemical calculations will be characterized by ab initio calculations<...

CF - Fyzikální chemie a teoretická chemie

  • 1997 - 1999
    • •
  • 3 941 tis. Kč
    • •
  • 2 018 tis. Kč
    • •
  • GA ČR
Project

Metrology for quantum-based traceability of the pascal (9B23012)

The overall objective of the project is to establish a metrological infrastructure for a traceable quantum-based pascal in the 1 Pa to 1 MPa range via the realisation of instrumentation and dissemination of the technology with minimal loss o...

Electrical and electronic engineering

  • 2023 - 2026
    • •
  • 2 376 tis. Kč
    • •
  • 1 188 tis. Kč
    • •
  • MŠMT
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