NMR properties (Scripts) 1.0

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• Last update: 6 years ago
• Price: Free |
• Operating system: Linux, Mac OS X, Win All, BSD, Solaris
• Publisher: Peter Volegov
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NMR properties (Scripts) Publisher's description

Returns NMR properties of the isotopes

Returns NMR properties of the isotopes

EXAMPLE
H = isotopes('1H'), T = isotopes('3H'), or if the atomic mass is not specified, i.e. I = isotopes('H'), the function returns array of structures with data for all isotopes of the specified element. Isotopes('n') returns NMR properties for neutron. Isotopes called without arguments returns the whole table.

The output structure has the following fields:
.name - element name;
.Z - atomic number;
.mass - mass number;
.I - nuclear spin;
.gamma - magnetogyric ratio in rad/(T s) calculated from the resonant frequency: 2*pi*F(@1T);
.ResFreq - resonant frequency in Hertz for an applied field B0 of 1 tesla (in cgs units, 10 kilogauss);
.RelSensB - sensitivity relative to 1H (=1) assuming an equal number of nuclei, constant temperature, and constant B0:
0.0076508(mu/mu_N)^3(I + 1)/I^2;
.RelSensF - sensitivity relative to 1H (=1) assuming an equal number of nuclei, constant temperature, and constant resonance frequency:
O.23871(mu/mu_N)(I + 1);
.u - nuclear magnetic moment in units of the nuclear magneton, (u/mu_N);
.Q - nuclear quadrupole moment in units of femtometers squared (1 fm2 = 10^-2 barn)

REFERENCES
1. "Nuclear spins, moments, and other data related to NMR spectroscopy" (9-93) CRC Handbook of Chemistry and Physics, 83th Ed., CRC Press, Boca Raton, FL, 2002.
2. Stone, N. J., <www.nndc.bnl.gov/nndc/stone_moments/>;
3. http://www.hbcpnetbase.com/

System Requirements:

MATLAB 7.2 (R2006a)
Program Release Status: New Release
Program Install Support: Install and Uninstall

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