- This is a FORTRAN program to simulate solid-state NMR
spectra. It runs under DOS or in a command-prompt window of Windows 3.1, 9x, or NT.
- A mathematical coprocessor is required!
- Calculations typically take a few seconds to complete.
- An experimental spectrum in WinNMR or ASCII format can
be read in.
- Calculated spectra can be displayed in adsorption, first
derivative, or second derivative mode.
- Output of calculated spectra is a to an ASCII data file.
Multiple spectra can be plotted to a HPGL file for later processing with
drawing or desktop publishing programs.
- Currently the following calculation models are publicly
available:
- Chemical shift anisotropy of a static powder sample
- Dipolar-chemical shift spectrum of a static powder sample
where the AX or A2 approximation is valid
Cf.: J. Phys. Chem. 1995, 99, 1030-1037.
- Dipolar-chemical shift spectrum of a static powder sample
where the AX or A2 approximation is valid, allowing for a general J tensor
independent of the dipolar interaction
- Isotropic peak in the MAS spectrum of a spin-1/2 nucleus
coupled to quadrupolar nuclei, using first-order perturbation theory.
This model calculates the full line shape or uses a "stick" approach.
In cases where the line shape can be approximated by Gaussian and/or Lorentzian
peaks, coupling to up to 10 nuclei may be included.
Cf.: Inorg. Chem. 1994, 33, 2766-2773.
- "Build" any spectrum from a list of frequency/intensity
data. At any given frequency, this program adds a "stick" of
the appropriate intensity to the spectrum, which can be convoluted afterwards.
Download
the self-extracting setup program for SOLIDS (342 KB). To install SOLIDS, transfer the
package to your PC into a directory of our choice and execute SOLIDS22.EXE. Follow
the on-screen instructions.
[ Go Home ] | last modified: 16.08.2001
