The general idea of nuclear spin-spin density as a second-rank tensor function of position in three-dimensional real space is introduced. A computer code for the evaluation of contributions from four Ramsey mechanisms, namely Fermi contact, spin-dipolar, paramagnetic, and diamagnetic spin-orbit term is constructed. The integral of such a function all over the three-space give the nuclear spin-spin coupling tensor components.
Nuclear spin-spin coupling density in molecules
Soncini A.;
2003
Abstract
The general idea of nuclear spin-spin density as a second-rank tensor function of position in three-dimensional real space is introduced. A computer code for the evaluation of contributions from four Ramsey mechanisms, namely Fermi contact, spin-dipolar, paramagnetic, and diamagnetic spin-orbit term is constructed. The integral of such a function all over the three-space give the nuclear spin-spin coupling tensor components.File in questo prodotto:
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