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11 002 (0,206s) •

Project

Structure and dynamics of animo acids (GA203/98/1166)

Potential energy surface of small amino acids will be studied using ab initio quantum chemical methods covering corelation energy. Entropy and free energy will be used for generating potential

CF - Fyzikální chemie a teoretická chemie

  • 1998 - 2000
    • •
  • 1 880 tis. Kč
    • •
  • 1 234 tis. Kč
    • •
  • GA ČR
Project

Potential energy surfaces and free energy surfaces of floppy systems (IAA4040904)

Thermodynamic characteristic of floppy systems (molecular clusters, biomolecules) will be calculated using computer simulations in the canonical, microcanonical and grand canonical ensembles, as well as using methods of classical statistical thermody...

CF - Fyzikální chemie a teoretická chemie

  • 1999 - 2003
    • •
  • 3 261 tis. Kč
    • •
  • 1 492 tis. Kč
    • •
  • AV ČR
Project

Systematic mapping of the conformational space of short peptides through molecular dynamics simulation - a way to understanding of protein structure formation. (LH11020)

will be based on the knowledge of the accurate ab initio potential energy surface in phi/psi as the reference for two dimensional fit of the potential energy surface obtained by an empirical ...

CF - Fyzikální chemie a teoretická chemie

  • 2011 - 2014
    • •
  • 1 660 tis. Kč
    • •
  • 1 660 tis. Kč
    • •
  • MŠMT
Project

Theoretical study of potential and free energy surfaces of DNA base pairs in vacuum and in water phase by means of molecular dynamics simulations (GA203/99/P049)

knowledge: of the potential energy surface and vibrational dynamics of DNA base pairs of the ab initio potential energy surfaces to make the force fields used in molecular statistical and thermod...

CF - Fyzikální chemie a teoretická chemie

  • 1999 - 2001
    • •
  • 710 tis. Kč
    • •
  • 643 tis. Kč
    • •
  • GA ČR
Project

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

approaches. After detailed exploration of potential nad free energy surfaces of complexes initio level. Geometries and exact values of interaction energies will be obtained......

CF - Fyzikální chemie a teoretická chemie

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

Effect of long-term heat pumps operation on the sustainability of rock environment energy potential (FV10511)

. To enhance the usability of the energy in the potential area by using energy conductive to energetic potential of shallow geothermal energy resources 4. Evaluation of the effectThe use of near-surfac...

JE - Nejaderná energetika, spotřeba a užití energie

  • 2016 - 2019
    • •
  • 17 407 tis. Kč
    • •
  • 12 540 tis. Kč
    • •
  • MPO
Project

Superhydrophobic surfaces by atmospheric pressure plasma (8J22AT002)

. The project aims to characterize the effect of roughness, surface energy and wear stability of the coatings as well as the chemistry of the surfaces by X-ray plasma and potentially enables further applications of...

Fluids and plasma physics (including surface physics)

  • 2022 - 2023
    • •
  • 164 tis. Kč
    • •
  • 164 tis. Kč
    • •
  • MŠMT
Project

Quantum-degenerate dipolar gases of bialkali molecules (GEQUA/07/E007)

of potential energy surfaces used in quantum dynamics calculations on ultralow-energy is to construct potential energy surfaces for systems of experimental interest.......

BG - Jaderná, atomová a molekulová fyzika, urychlovače

  • 2007 - 2010
    • •
  • 3 141 tis. Kč
    • •
  • 3 141 tis. Kč
    • •
  • GA ČR
Project

Femtosecond dynamics of excited states of molecules in the gas phase (IAB1010925)

the theoretical model are the potential energy curves or surfaces, which determine...

BG - Jaderná, atomová a molekulová fyzika, urychlovače

  • 1999 - 2001
    • •
  • 3 225 tis. Kč
    • •
  • 965 tis. Kč
    • •
  • AV ČR
Project

Quantum dynamics of ultracold atom-molecule collisions (MEB020731)

Construction of the potential energy surfaces of selected alkali-metal trimers followed by a quantum dynamical study of atom-molecule collisional processes at ultralow temperatures.......

BG - Jaderná, atomová a molekulová fyzika, urychlovače

  • 2008 - 2008
    • •
  • 30 tis. Kč
    • •
  • 30 tis. Kč
    • •
  • MŠMT
  • 1 - 10 out of 11 002