NMR software




Home and Applets > Related Site > Software

Some web sites dealing with NMR software of half-integer quadrupole spins are provided:

  • J. Bishop and N. Bishop
    Java Gently for Engineers and Scientists
     
  • Wyndham B. Blanton
    BlochLib: a fast NMR C++ tool kit
    J. Magn. Reson. 162, 269-283 (2003).
     
  • Dmfit, Edit NMR
    MS Windows NMR programs
     
  • Klaus Eichele
    MS Windows environment programs (PDF file)
     
  • Gamma
    (A general approach to magnetic resonance mathematical analysis)
    Computer simulations in magnetic resonance. An object-oriented programming approach,
    S. A. Smith, T. O. Levante, B. H. Meier, and R. R. Ernst
    J. Magn. Reson. A 106, 75-105 (1994).
     
  • Gnumeric
    The Gnome office spreadsheet
     
  • GSim
    Free visualisation and processing NMR software tool for experimental and simulated (solid-state) NMR data,
    Vadim E. Zorin,
    Varian Ltd. 10 Mead Road, Oxford Industrial Park, Oxford OX5 1QU, United Kingdom.
     
  • Ronald Mak
    Java Number Cruncher: The Java Programmer's Guide to Numerical Computing
    Printice Hall PTR
     
  • MathNMR
    MathNMR: Spin and spatial tensor manipulations in Mathematica,
    A. Jerschow
    J. Magn. Reson. 176, 7-14 (2005).
    alexej.jerschow@nyu.edu
     
  • Maxima
    A computer algebra system
     
  • mqmasOPT
    Optimized multiple quantum MAS lineshape simulations in solid state NMR,
    William J. Brouwer, Michael C. Davis, and Karl T. Mueller
    Comput. Phys. Commun. 180, 1973-1982 (2009).
    Abstract
     
  • NUTS NMR processing
    NMR data processing software from ACORN NMR Inc.
     
  • ODIN
    Object-oriented Development Interface for NMR,
    T. H. Jochimsen and M. von Mengershausen
    J. Magn. Reson. 170, 67-78 (2004).
    thies@jochimsen.de
     
  • Grant Palmer
    Technical Java: Developing Scientific And Engineering Applications
    Printice Hall PTR
     
  • overLIB
    overLIB is a JavaScript library created to enhance websites with small popup information boxes.
     
  • pNMRsim
    A SIMPSON-like general simulation program for solid-state NMR intended for large and complex problems,
    P. Hodgkinson
     
  • POMA
    (Product Operator formalism in MAthematica)
    Symbolic NMR product operator calculations,
    P. Günthert
    Int. J. Quantum Chem. 106, 344-350 (2006).
     
  • PyPulsar
    A free solid state NMR simulation program,
    J.-P. Amoureux, C. Fernandez, and Y. Dumazy
     
  • QuadFit
    A new cross-platform computer program for simulation of NMR line shapes from solids with distributions of interaction parameters
    T.F. Kemp and M.E. Smith
    Solid State Nucl. Magn. Reson. 35, 243-252 (2009).
    Abstract
     
  • QUEST
    QUEST—QUadrupolar Exact SofTware: A fast graphical program for the exact simulation of NMR and NQR spectra for quadrupolar nuclei
    Frédéric A. Perras, Cory M. Widdifield, and David L. Bryce
    Solid State Nucl. Magn. Reson. 45-46, 36-44 (2012).
    Abstract
    QUEST tutorial videos
     
  • RMN(fat)
    Nuclear Magnetic Resonance data processing program for the Macintosh
     
  • Simpson
    A general simulation program for solid-state NMR
    M. Bak, J. T. Rasmussen, and N. C. Nielsen,
    J. Magn. Reson. 147, 296-330 (2000).

    Computer-intensive simulation of solid-state NMR experiments using SIMPSON
    Zdeněk Tošner, Rasmus Andersen, Baltzar Stevensson, Mattias Edén, Niels Chr. Nielsen, and Thomas Vosegaard
    J. Magn. Reson. 246, 79-93 (2014).

    SIMPSON - SIMMOL discussion forum
     
  • SIMQUADNMR
    A program for simulation and interpretation of multiple quantum-filtered NMR spectra of quadrupolar nuclei,
    N. D'Amelio, E. Gaggelli, E. Molteni, and G. Valensin
    J. Magn. Reson. 172, 142-151 (2005).
    valensin@unisi.it
     
  • Spinach
    A standard format and a graphical user interface for spin system specification,
    A.G. Biternas, G.T.P. Charnock, Ilya Kuprov
    J. Magn. Reson. 240, 124-131 (2014).
     
  • SpinDynamica
    Magnetic resonance in Mathematica
     
  • SPINEVOLUTION
    A powerful tool for the simulation of solid and liquid state NMR experiments,
    Mikhail Veshtort and Robert G. Griffin
    J. Magn. Reson. 178, 248-282 (2006).
    rgg@mit.edu
    (1) spinev-discuss forum
    (2) Simulation of NMR experiments with SPINEVOLUTION, (Mikhail Veshtort, 2008)
     
  • SpinWorks
    Basic off-line processing of 1D NMR and 2D data, and simulation and iterative analysis of complex second order spectra including dynamic NMR problems and certain solid-state NMR problems
    Kirk Marat, University of Manitoba
     


Softwares installable on USB

 

(top)

[Contact me] - Last updated July 11, 2016
Solid-state NMR bibliography for
Aluminum-27
Antimony-121/123
Arsenic-75
Barium-135/137
Beryllium-9
Bismuth-209
Boron-11
Bromine-79/81
Calcium-43
Cesium-133
Chlorine-35/37
Chromium-53
Cobalt-59
Copper-63/65
Deuterium-2
Gallium-69/71
Germanium-73
Gold-197
Hafnium-177/179
Indium-113/115
Iodine-127
Iridium-191/193
Krypton-83
Lanthanum-139
Lithium-7
Magnesium-25
Manganese-55
Mercury-201
Molybdenum-95/97
Neon-21
Nickel-61
Niobium-93
Nitrogen-14
Osmium-189
Oxygen-17
Palladium-105
Potassium-39/41
Rhenium-185/187
Rubidium-85/87
Ruthenium-99/101
Scandium-45
Sodium-23
Strontium-87
Sulfur-33
Tantalum-181
Titanium-47/49
Vanadium-51
Xenon-131
Zinc-67
Zirconium-91



Copyright © 2002- pascal-man.com. All rights reserved.