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Default Magnetic Resonance in Chemistry: a computational issue

Magnetic Resonance in Chemistry: a computational issue

A special issue of Magnetic Resonance in Chemistry on Quantum-Chemical Computations of Magnetic Resonance Parameters (2010, volume 48, issue S1) has been finalized and is now available online.

Canadian contributions

E.S. Kadantsev and T. Ziegler,
"First-principles calculation of parameters of electron paramagnetic resonance spectroscopy in solids", Magnetic Resonance in Chemistry 48 (2010) S2-S10. http://dx.doi.org/10.1002/mrc.2655

D.L. Bryce "A computational investigation of J couplings involving 27Al, 17O, and 31P," Magnetic Resonance in Chemistry 48 (2010) S69-S75. http://dx.doi.org/10.1002/mrc.2630

D.H. Brouwer, I.L. Moudrakovski, R.J. Darton, R.E. Morris, "Comparing quantum chemical calculation methods for structural investigation of zeolite crystal structures by solid-state NMR spectroscopy", Magnetic Resonance in Chemistry 48 (2010) S113-S121. http://dx.doi.org/10.1002/mrc.2642



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