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48 (0,107s) •

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 the dynamics and reactions of solvated electrons in clusters and nanoparticles are proposed. In a molecular beam experiment free clusters with solva...

CF - Fyzikální chemie a teoretická chemie

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

In situ monitoring and modeling of the solvation processes of active pharmaceutical ingredients (GA17-23196S)

Project is focused on the development of methodology for in-situ characterization of the desolvation/resolvation process of the active pharmaceutical ingredients (API). The transformation of the API solvates will be monitored using flow to e...

CI - Průmyslová chemie a chemické inženýrství

  • 2017 - 2019
    • •
  • 7 438 tis. Kč
    • •
  • 7 078 tis. Kč
    • •
  • GA ČR
Project

Solid-State NMR Spectroscopy of Organic Molecules, Polymorphs, Solvates, and Complexes (GAP206/11/0550)

(intermolecular interactions including hydrogen bonding, formation of polymorphs and solvates. The project addresses analysis and recognition of polymorphs, solvates, cocrystals......

CF - Fyzikální chemie a teoretická chemie

  • 2011 - 2013
    • •
  • 1 823 tis. Kč
    • •
  • 1 823 tis. Kč
    • •
  • GA ČR
Project

Exploring Conformational Space of Short Peptides by Advanced Quantum Chemical and Solvation Methods A Key to Understand Protein Structures? (GA17-24155S)

on accurate, yet efficient quantum chemical methods and advanced solvation method...

CF - Fyzikální chemie a teoretická chemie

  • 2017 - 2019
    • •
  • 5 100 tis. Kč
    • •
  • 3 531 tis. Kč
    • •
  • GA ČR
Project

Accurate molecular dynamics of liquids and solvation through machine learning of ab initio interactions (GA21-27987S)

alone. Properties and mutual interactions of solvated species, such as small ions...

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

  • 2021 - 2024
    • •
  • 6 586 tis. Kč
    • •
  • 6 586 tis. Kč
    • •
  • GA ČR
Project

Chemical modification of bambusurils for adjusting their binding affinity and selectivity (GA23-05271S)

Bambusurils are macrocyclic compounds known for their ability to form stable supramolecular host-guest complexes with many inorganic anions. The binding selectivity of these receptors depends mainly on the degree of anion solvation energy. I...

Organic chemistry

  • 2023 - 2025
    • •
  • 6 054 tis. Kč
    • •
  • 5 931 tis. Kč
    • •
  • GA ČR
Project

Transport, solvatation and sorption of ions in gel polymer electrolytes (GA104/02/0731)

The interactions between ions, liquid solvent, and polymer would be investigated both in liquid solutions and gel polymer electrolytes. Transport properties of solvated ions, their adsorption and electric double layer on solid electrodes and...

CG - Elektrochemie

  • 2002 - 2004
    • •
  • 5 139 tis. Kč
    • •
  • 2 622 tis. Kč
    • •
  • GA ČR
Project

Hydration and solvation of building blocks of biopolymers (IAA400550808)

Non-covalent interactions are very important for structure and dynamics of biomolecules (DNA, proteins). Between these interactions besides H-bonded and stacked interactions between the bases in nucleic acids and amino acids in proteins the environme...

CF - Fyzikální chemie a teoretická chemie

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

Water and Hydration of Nonpolar and Ionic Solutes (MEB091033)

The goal of this project is to investigate and characterize the structure of water molecules around various solutes and its consequences for thermodynamic properties. Particular attention will be paid to ions and large solutes with Coulombic sites re...

CF - Fyzikální chemie a teoretická chemie

  • 2010 - 2011
    • •
  • 88 tis. Kč
    • •
  • 88 tis. Kč
    • •
  • MŠMT
Project

Modeling of charge transfer with advanced computational methods From biological systems to material science (LH15081)

for solvation. The method development is linked to applications on different molecular for the description of solvation effects in charged systems Linking of programs ABIN and TeraChem......

CF - Fyzikální chemie a teoretická chemie

  • 2015 - 2017
    • •
  • 1 219 tis. Kč
    • •
  • 1 219 tis. Kč
    • •
  • MŠMT
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