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4 094 (0,066s) •

Project

Reliable calculations and predictions of NMR chemical shifts for the structural characterization of phosphorylated intrinsically disordered proteins (GJ19-14886Y)

magnetic resonance (NMR) chemical shifts (CSs) in phosphorylated intrinsically computations combining molecular dynamics and quantum-chemical calculations to obtain 1H, 13C, 15N and 31P chemical shifts. I...

Physical chemistry

  • 2019 - 2022
    • •
  • 5 250 tis. Kč
    • •
  • 5 250 tis. Kč
    • •
  • GA ČR
Project

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

), and how the structural changes are reflected in isotropic chemical shifts and principal components of the chemical shift tensors as the relevant SS NMR parameters......

CF - Fyzikální chemie a teoretická chemie

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

Silicon-29 chemical shifts (GA203/99/0132)

contributing to the observed chemical shifts is still in the state of infancy. Well of the molecule can contribute to the observed chemical shift. In the project we sha......

CA - Anorganická chemie

  • 1999 - 2001
    • •
  • 1 404 tis. Kč
    • •
  • 1 112 tis. Kč
    • •
  • GA ČR
Project

Steric effects in NMR spectroscopy (GA203/96/0567)

During the course of the previous grant we have discovered that significant steric effects observed on 29Si chemical shifts in trimethylsiloxysteroids concentration and temperature dependencies of those chemical shifts<...

CC - Organická chemie

  • 1996 - 1998
    • •
  • 1 294 tis. Kč
    • •
  • 634 tis. Kč
    • •
  • GA ČR
Project

Development of methods for configuration determination at chiral sulfur, nitrogen or phosphorus atom using NMR spectroscopy and ab initio calculations (GA203/09/1919)

).The combination of NMR experiments in solution and in solid state with quantum chemical calculations (geometry optimization, calculation of NMR chemical shifts and spin-spin anisotropy of S-O, N-O and P=O functional group...

CC - Organická chemie

  • 2009 - 2011
    • •
  • 1 717 tis. Kč
    • •
  • 1 717 tis. Kč
    • •
  • GA ČR
Project

Nuclear magnetic resonance studies of oligonucleotide dynamics (GA203/99/0311)

and from the lack of data on 13C and 15N chemical shift anisotropy in nucleic acids. We of interference effects between the dipolar and chemical shift anisotropy (CSA)......

CE - Biochemie

  • 1999 - 2001
    • •
  • 3 380 tis. Kč
    • •
  • 2 380 tis. Kč
    • •
  • GA ČR
Project

Optimal control theory in design of NMR experiments (GP202/07/P213)

requirement of low rf power, its inhomogeneity, and range of chemical shifts within, and homonuclear decoupling with minimal scaling of effective chemical shifts.......

BM - Fyzika pevných látek a magnetismus

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

Relativistic Effects in Paramagnetic NMR Spectroscopy (GA21-06991S)

effects on NMR shifts in paramagnetic systems. State-of-the-art four-component density hyperfine NMR shifts for a series of 5d-element compounds. The relationship between principles and formulating new chemical concepts. T...

Physical chemistry

  • 2021 - 2023
    • •
  • 7 632 tis. Kč
    • •
  • 7 389 tis. Kč
    • •
  • GA ČR
Project

Pulse sequences for in vivo magnetic resonance spectroscopic measurements with partially suppressed water signal as a multipurpose internal reference (GA102/09/1861)

The aim of the project is to develop a new class of radiofrequency- and field-gradient pulse sequences for chemical-shift-selective presaturation of water magnetization in clinical in vivo 1H MR spectroscopy and spectroscopic imagin...

FS - Lékařská zařízení, přístroje a vybavení

  • 2009 - 2010
    • •
  • 1 649 tis. Kč
    • •
  • 1 649 tis. Kč
    • •
  • GA ČR
Project

Immobilisation of carborane-based ligands on the electrode surface for direct electrochemical redox-catalysis (GN24-11490O)

One of the most significant trends in modern chemical research expensive and often toxic chemical oxidizing or reducing agents used in catalyzed. The effect of the electric field will be examined on a shift of donor propert...

Organic chemistry

  • 2024 - 2027
    • •
  • 4 713 tis. Kč
    • •
  • 4 713 tis. Kč
    • •
  • GA ČR
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