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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section12
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QCMP150. QUADRUP: Program for Calculating Magic-Angle-
Spinning Solid-State NMR Lineshapes for Spin-1/2
Nuclei Dipolar and Scalar Coupled to Quadupolar Nuclei
by Alejandro C. Olivieri, Departamento de Química
Analítica, Facultad de Ciencias Bioquímicas y
Farmacéuticas, Universidad Nacional de Rosario,
Suipacha 531, Rosario, Argentina
This package contains source programs in QBASIC and
executable programs (*.exe) plus a README.DOC file.
The programs produce an ASCII file containing
frequencies and intensities (both in "stick" and
Gaussian-convoluted formats) for most of the cases of
interest: small, intermediate and large quadrupole
coupling constants. These files can then be read by a
graphics program in order to plot the spectra.
One of the programs (SMALL.EXE) is able to plot the
lineshape on the screen (only for small quadrupole
coupling constants).
Lines of Code: 1200
QBASIC
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