O. Yu. Savel’ev, V. I. Mstislavskii, and Yu. A. Ustynyuk
Faculty of Chemistry, Moscow State University, Vorob’evy gory, Moscow, 119899 Russia
E-mail: yust@nmr.chem.msu.su
Received November 12, 2002
Abstract—Analytic equations for calculating the derivatives of spectral intensity with respect to parameters in
dynamic nuclear magnetic resonance spectra were obtained with the use of the Kubo–Anderson–Sack formal-
ism. A comparison of the derivatives calculated analytically and numerically for several model problems
showed that the two approaches gave similar results. The differences may, however, be of significance for
regression analysis.
Pleiades Publishing home page | journal home page | top
If you have any problems with this server, contact webmaster.