A fast algorithm for computer simulations in INEPT experiments
Autor: | Jean-Claude Lartigue, Michel Pétraud, Bernard De Jeso, Max Ratier, Mouna Harket |
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Rok vydání: | 1996 |
Předmět: | |
Zdroj: | Computers & Chemistry. 20:219-226 |
ISSN: | 0097-8485 |
Popis: | A rapid, convenient and portable computer simulation program based on the general INEPT equations is described. It allows an easy calculation of the spectra for any weakly coupled structure up to nine systems of spins-12 [ca 25 spins] and an optimization of the experimental polarization and refocusing time parameters. |
Databáze: | OpenAIRE |
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