Where is water on nmr




















Magnetic Resonance in Chemistry , 59 , Altenhof , Robert W. Schurko , David L. Chemistry — A European Journal , 27 49 , Journal of Applied Physics , 8 , Klein , Dylan G. Tkachuk , Victor V. Terskikh , Vladimir K. Expanding the NMR toolkit for biological solids: oxygen enriched Fmoc-amino acids.

New Journal of Chemistry , 45 28 , Natural abundance oxygen solid-state NMR of metal organic frameworks enhanced by dynamic nuclear polarization. Physical Chemistry Chemical Physics , 23 3 , Recent developments in 17O NMR studies of organic and biological molecules in the solid state. Sahoo , Xiaofeng Dai , Ayyalusamy Ramamoorthy. Natural-abundance 17 O NMR spectroscopy of magnetically aligned lipid nanodiscs. Chemical Communications , 56 69 , Progress in Nuclear Magnetic Resonance Spectroscopy , , New frontiers for solid-state NMR across the periodic table: a snapshot of modern techniques and instrumentation.

Dalton Transactions , 48 23 , Pair your accounts. From NMR spectra to structure. Concepts in Magnetic Resonance Part A , 42 6 , Ceriotti , J. Cuny , M. Parrinello , D. Nuclear quantum effects and hydrogen bond fluctuations in water.

Proceedings of the National Academy of Sciences , 39 , Bhat , Dino Leporini. Transport and Dynamics in Supercooled Confined Water. Siskos , Vassiliki G. Kontogianni , Constantinos G. Tsiafoulis , Andreas G. Tzakos , Ioannis P. Investigation of solute—solvent interactions in phenol compounds: accurate ab initio calculations of solvent effects on 1H NMR chemical shifts.

Babushkina , T. Klimova , M. Tsyurupa , Z. Blinnikova , V. NMR investigation of the porosity of hypercrosslinked polystyrene and the properties of water confined in its nanopores. Russian Journal of Physical Chemistry A , 86 10 , Pickard , Michele Parrinello. Journal of the American Chemical Society , 20 , Recent Advances in Nuclear Shielding Calculations. An improved scheme for the calculation of NMR chemical shifts in periodic systems based on gauge including atomic orbitals and density functional theory.

Canadian Journal of Chemistry , 89 9 , Palmans , Tom F. The impact of the amide connectivity on the assembly and dynamics of benzene-1,3,5-tricarboxamides in the solid state. Chemical Science , 2 10 , Banyai , Tatiana Murakhtina , Daniel Sebastiani. NMR chemical shifts as a tool to analyze first principles molecular dynamics simulations in condensed phases: the case of liquid water.

Electrical polarization and orbital magnetization: the modern theories. Journal of Physics: Condensed Matter , 22 12 , Banerjee , S. Bhat , S. Bhat , D. ESR evidence for 2 coexisting liquid phases in deeply supercooled bulk water. Proceedings of the National Academy of Sciences , 28 , Thonhauser , D. Ceresoli , Arash A. Mostofi , Nicola Marzari , R. Resta , David Vanderbilt. A converse approach to the calculation of NMR shielding tensors. The Journal of Chemical Physics , 10 , ChemPhysChem , 9 16 , Mallamace , C.

Corsaro , M. Broccio , C. Branca , N. Gonzalez-Segredo , J. Spooren , S. Chen , H. NMR evidence of a sharp change in a measure of local order in deeply supercooled confined water.

Proceedings of the National Academy of Sciences , 35 , Janecek , E. Gauge-invariant real-space method for density functional calculations in an external magnetic field. Balevicius , K. Applied Magnetic Resonance , 32 3 , Equilibrium isotopic fractionation in the kaolinite, quartz, water system: Prediction from first-principles density-functional theory. Geochimica et Cosmochimica Acta , 71 13 , Yates , Chris J. Pickard , Francesco Mauri. Calculation of NMR chemical shifts for extended systems using ultrasoft pseudopotentials.

ChemPhysChem , 8 6 , Searles , Hanspeter Huber. Nielsen , Kurt V. Mikkelsen , Ove Christiansen , Kenneth Ruud. The Journal of Chemical Physics , 3 , Orendt , J. ChemPhysChem , 7 12 , Schmidt , A. Jump to main content. Jump to site search. You do not have JavaScript enabled. Please enable JavaScript to access the full features of the site or access our non-JavaScript page. Issue 35, From the journal: Physical Chemistry Chemical Physics.

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