Computer simulation of FT-NMR multiple pulse experiment

Published: 1 January 1989| Version 1 | DOI: 10.17632/pncr5ps8pw.1
A. Allouche, G. Pouzard


Abstract Using the product operator formalism in its real form, SIMULDENS expands the density matrix of a scalar coupled nuclear spin system and simulates analytically a large variety of FT-NMR multiple pulse experiments. The observable transverse magnetizations are stored and can be combined to represent signal accumulation. The programming language is VAX PASCAL, but a MacIntosh Turbo Pascal Version is also available. Title of program: SIMULDENS Catalogue Id: ABHL_v1_0 Nature of problem The program SIMULDENS derives analytically the density matrix of a system of N weakly coupled spin-1/2 nuclei (N </= 4 in this version) during a pulse sequence. Versions of this program held in the CPC repository in Mendeley Data ABHL_v1_0; SIMULDENS; 10.1016/0010-4655(89)90042-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Physical Chemistry, Molecular Physics, Computational Physics