Note: Counterintuitive gauge-dependence of nuclear magnetic resonance shieldings for rare-gas dimers: does a natural gauge-origin for spherical atoms exist?
نویسندگان
چکیده
A counterintuitive gauge-dependence of NMR shieldings for rare-gas dimers is presented and analyzed. It is shown that common belief about the existence of a natural gauge-origin for spherical atoms with respect to NMR shielding calculations is wrong.
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عنوان ژورنال:
- The Journal of chemical physics
دوره 134 8 شماره
صفحات -
تاریخ انتشار 2011