Thread: NMR900 blog Magnetic Resonance in Chemistry: computational issue
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Default Magnetic Resonance in Chemistry: computational issue
Magnetic Resonance in Chemistry: computational issue


Magnetic Resonance in Chemistry is putting together a special issue on "the Quantum-Chemical Calculations and their applications". Many papers from this issue, including several invited papers from Canadian groups, are already available online (Early View).

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 (2010) online. (Invited Article, Special Issue) http://dx.doi.org/10.1002/mrc.2642

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


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