Theory of Solid-State NMR
Theory and applications of supercycled symmetry based recoupling sequences in solid state NMR
... tion of just one R26 4 11 cycle. Since many recoupling cycles are often required, and this rotation accumulates between consecutive cycles, this feature places almost impossible de- mands on the phase shift accuracy. To ...
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Theory and applications of supercycled symmetry-based recoupling sequences in solid-state NMR
... tion of just one R26 4 11 cycle. Since many recoupling cycles are often required, and this rotation accumulates between consecutive cycles, this feature places almost impossible de- mands on the phase shift accuracy. To ...
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Solid-State NMR of CO2 Mineralization and NMR Crystallography
... Second, I want to acknowledge the collaborators who have helped and provided the support for the DOE-NETL, DIBBS and CSMC project. I would like to thank Dr. Daniel Giammar, Dr. Ra- chel Wells and Dr. Xiong Wei, who have ...
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Solid-state NMR of Complex Nano- and Microcrystalline Materials
... ix Andrew Namespetra, to whom I am also indebted) laid a lot of the groundwork for my pharmaceutical studies. Thank you to those who trained me on the spectrometer and in the theory of NMR. Dr. Bryan ...
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Multinuclear solid state NMR for the characterisation of inorganic materials
... the solid state spectra result that are broadened, often over many 10s or 100s of ...on NMR parameters for many inorganic materials available in the literature, particularly for some less commonly ...
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Characterisation of inorganic materials using solid state NMR spectroscopy
... the solid-state chemistry community for using computation, such as density functional theory (DFT), to help assign, interpret and understand NMR spectra of molecular ...the solid ...
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Dynamic Nuclear Polarization Solid-State NMR in Heterogeneous Catalysis Research
... also NMR ’ s ability to investigate a wide range of dynamic processes at solid − liquid and solid − gas interfaces under catalytically relevant pressures and ...in theory have endowed the ...
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Computing of 93Nb NMR Parameters of Solid-State Niobates. The Geometry Matters
... complex solid-state NMR spectra and it is frequently difficult to extract all the information from these ...functional theory (DFT) is currently one of the most used methods in quantum ...
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The development of solid state NMR methodology to study the dynamics of proteins and ice
... the theory presented by Suter and Ernst, which states that the rate of SD is dependent on this difference in chemical shift, alongside other factors such as ...
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Dipolar recoupling in solid state NMR by phase alternating pulse sequences
... respectively. The powers are chosen large enough to prevent chemical shift evolution and avoid Hartmann Hahn and rotary resonance conditions and thereby prevent dipolar recoupling. The exact values are experimentally ...
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Techniques of solid-state NMR
... Sanchez 'Surface and bulk characterisation of titanium oxo clusters and nanosized titania particles through 17O solid state NMR.' J. All transitions exhibit second order effects[r] ...
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Bio-Solid State NMR
... In solids: anisotropic contributions (<3cos 2 q-1> dependence); q is angle between the angle of the tensor element with respect to the applied field, B o. For large (M r » 30k) and slowly tumbling molecules (t r > ~10's ...
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Seminar. Solid-state NMR Spectroscopy
... For liquids in which the molecules are mov- ing rapidly, the term 1 − 3cos 2 (θ) must be integraded over a sphere, as all angles θ are sampled. This integration produces the result that the dipole-dipole interaction is ...
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Prediction of NMR parameters in the solid-state
... Since, in an all electron calculation, the valence elec- tron wavefunctions must be orthogonal to the core wave- functions they necessarily have strong oscillations in the region near the nucleus (see the all electron ...
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Continuous Wave NMR Imaging in the Solid State
... the NMR spectrometer frequency was swept such that the sensitive slice moved through the sample, have been carried out on sufficiently thin samples 28 ...the NMR- MOUSE, a portable magnet and spectrometer ...
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Biological Membrane Structure By Solid-State NMR
... particularly solid-state NMR spectroscopy, is a method of choice to study the structure and dynamics of both the lipid and the protein components of model and biological ...C ...
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Molecular architecture of softwood revealed by solid state NMR
... components. Solid-state NMR pro- vides precise conformational, chemical and proximity information and so can address this gap in our understanding of cell wall assembly by providing sub-nanometre ...
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Solution- and solid-state NMR studies of GPCRs and their ligands
... and solid-state NMR approaches have been developed and have provided new insights, particularly focussing on the study of protein-ligand interactions which are vital for drug ...for NMR ...
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Solid state NMR studies of ferroelectric relaxor materials
... Multi-nuclear solid state nuclear magnetic resonance has been used to investigate the local atomic structure of the relaxor ferroelectric materials, lead magnesium [r] ...
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Solid-State NMR of Quadrupolar Nuclei for Structural Elucidation
... of NMR. Since the initial discovery of NMR, intense research, coupled with advances in hardware and software, has made this a ubiquitous technique for the solution-state, molecular-level structural ...
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