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CYANA (combined assignment and dynamics algorithm for NMR applications) is a program for automated structure calculation of biological macromolecules on the basis of conformational constraints from nuclear magnetic resonance (NMR).
Software Author, creator Operating system First public release Latest stable version Cost in USD License External link cuteNMR Linux, macOS, Windows: November 9, 2010
Bruker 700 MHz nuclear magnetic resonance (NMR) spectrometer. Nuclear Magnetic Resonance (NMR) basic principles. Nuclear magnetic resonance (NMR) is a physical phenomenon in which nuclei in a strong constant magnetic field are disturbed by a weak oscillating magnetic field (in the near field [1]) and respond by producing an electromagnetic signal with a frequency characteristic of the magnetic ...
SDBS includes 14700 1 H NMR spectra and 13000 13 C NMR spectra as well as FT-IR, Raman, ESR, and MS data. The data are stored and displayed as an image of the processed data. Annotation is achieved by a list of the chemical shifts correlated to letters which are also used to label a molecular line drawing.
A 900 MHz NMR instrument with a 21.1 T magnet at HWB-NMR, Birmingham, UK Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique based on re-orientation of atomic nuclei with non-zero nuclear spins in an external magnetic field.
Graph of the Karplus relation J HH (φ) = 12 cos ^2 φ - cosφ+2 obtained for ethane derivatives [1]. The Karplus equation, named after Martin Karplus, describes the correlation between 3 J-coupling constants and dihedral torsion angles in nuclear magnetic resonance spectroscopy: [2]
In solid-state NMR spectroscopy, magic-angle spinning (MAS) is a technique routinely used to produce better resolution NMR spectra. MAS NMR consists in spinning the sample (usually at a frequency of 1 to 130 kHz) at the magic angle θ m (ca. 54.74°, where cos 2 θ m =1/3) with respect to the direction of the magnetic field. Three main ...
Available spectra data and plots for: Infrared spectroscopy (IR) spectra. Fourier transform spectroscopy (FT-IR) [79] Raman spectroscopy (IR) [80] Nuclear magnetic resonance (NMR) spectra. 1 H chemical shifts [81] [82] and coupling constants (empirical) 13 C chemical shifts, [81] [82] Boltzmann averaged shifts, and 13 C DEPT spectra; 2D H vs H ...