کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5407553 | 1393221 | 2006 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A general numerical analysis of time-domain NQR experiments
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We introduce a general numerical approach for solving the Liouville equation of an isolated quadrupolar nuclide that can be used to analyze the unitary dynamics of time-domain NQR experiments. A numerical treatment is necessitated by the dimensionality of the Liouville space, which precludes analytical, closed form solutions for I > 3/2. Accurate simulations of experimental nutation curves, forbidden transition intensities, powder and single crystal spectra, and off-resonance irradiation dynamics can be computed with this method. We also examine the validity of perturbative approximations where the signal intensity of a transition is proportional to the transition moment between the eigenstates of the system, thus providing a simple basis for determining selection rules. Our method allows us to calculate spectra for all values of the asymmetry parameter, η, and sample orientations relative to the coil axis. We conclude by demonstrating the methodology for calculating the response of the quadrupole system to amplitude- and frequency-modulated pulses.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetic Resonance - Volume 183, Issue 2, December 2006, Pages 308-314
Journal: Journal of Magnetic Resonance - Volume 183, Issue 2, December 2006, Pages 308-314
نویسندگان
Elad Harel, Herman Cho,