A simple method to execute spin algebra computations is presented. It uses the high‐level
numerical program Scilab and its large and convenient set of linear algebra routines. The …

A computer algebra tool for describing the Liouville-space quantum evolution of nuclear 1/2-
spins is introduced and implemented within a computational framework named Spin …

We describe a Mathematica™ package suitable to simulate the behavior of a system of two
spins of different nuclei when a pulse sequence is applied. It may be used to simulate the …

A product-operator description of a large strongly coupled spin-1 2 system for analyzing
multiple-pulse NMR experiments is reported. Three different methods are proposed to obtain …

A new simulation program for multinuclear NMR is introduced. PJNMR (Pure Java NMR)
2.0, written entirely in the Java programming language, simulates pulse sequences on …

Spin and spatial tensor manipulations are frequently required to describe the theory of NMR
experiments. A Mathematica package is presented here, which provides some of the most …

Modern NMR techniques involve keeping track of the evolutions of two or more coupled
spins. A new multivector representation adequate for visualizing such evolutions is …

The NMR experiment is usually described by a choice of three models that operate on
different levels of abstraction: the vector model, the product operator formalism and the …

A new program (MC DNMR) is presented for the simulation of dynamic nuclear magnetic
resonance spectra. The algorithm is a Monte Carlo type method based on the extension of …

Abstract The two‐dimensional (2D) NMR double‐quantum filtered COSY spectrum of an AX
spin system of spin‐1 has been calculated by numerical density matrix calculations. The …