Results 11 to 20 of about 3,070,377 (288)
Nuclear magnetic shielding in HD and HT [PDF]
Physical Review A, 2022 We perform a calculation of the nuclear magnetic shielding in HD and HT molecules, with complete and perturbative accounts for nuclear masses. From the difference in shielding, we obtain the deuteron and triton magnetic moments in agreement with the CODATA value, with the accuracy limited only by nuclear magnetic resonance measurements.
Mariusz Puchalski +3 more
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Spatial Contributions to Nuclear Magnetic Shieldings [PDF]
The Journal of Physical Chemistry A, 2021 We develop a methodology for calculating, analyzing, and visualizing nuclear magnetic shielding densities which are calculated from the current density via the Biot–Savart relation. Atomic contributions to nuclear magnetic shielding constants can be estimated within our framework with a Becke partitioning scheme.
Rahul Kumar Jinger +5 more
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Nuclear magnetic shielding in heliumlike ions [PDF]
Physical Review AQED calculations of the nuclear magnetic shielding constant in heliumlike ions are presented. We combine the nonrelativistic QED approach based on an expansion in powers of the fine-structure constant α and the so-called all-order QED approach, which includes all orders in the parameter Zα but uses a perturbation expansion in the parameter 1/Z (where ...
Vladimir A. Yerokhin +3 more
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QED calculation of the nuclear magnetic shielding for hydrogenlike ions [PDF]
Physical Review A, 2012 We report an ab initio calculation of the shielding of the nuclear magnetic moment by the bound electron in hydrogen-like ions. This investigation takes into account several effects that have not been calculated before (electron self-energy, vacuum polarization, nuclear magnetization distribution), thus bringing the theory to the point where further ...
Yerokhin, V. +3 more
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A REMARK ON THE ISOTOPE SHIFT IN NUCLEAR MAGNETIC SHIELDING
Canadian Journal of Physics, 1964 Isotope shifts in nuclear magnetic shielding have been calculated in the molecular hydrogen system by a semiempirical procedure, which assumes that the high-frequency term varies with internuclear distance R as Rm. It has been found, through a comparison with other investigations, that the choice of m = −1.9 appears to be reasonable. If this choice is
A. Saika, H. Narumi
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The proton nuclear magnetic shielding tensors in biphenyl: Experiment and theory
Journal of Magnetic Resonance, 2005 Line-narrowing multiple pulse techniques are applied to a spherical sample crystal of biphenyl. The 10 different proton shielding tensors in this compound are determined. The accuracy level for the tensor components is 0.3 ppm. The assignment of the measured tensors to the corresponding proton sites is given careful attention.
Schoenborn, Frank +6 more
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Nuclear magnetic resonance [PDF]
, 2012 Podeu consultar el llibre complet a: http://hdl.handle.net/2445/32166This article reviews the principles and methods of nuclear magnetic resonance spectroscopy, and gives examples of applications carried out at our Facility, which illustrate the ...
Molins i Montserrat, Mª Antònia +4 more
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Intra- and inter-molecular effects on nuclear magnetic shielding of hexafluorides and fluoroethenes.
, 1989 Intra- and inter-molecular effects on nuclear magnetic shielding of hexafluorides and ...
Daulat H. Oppusunggu (7983980)
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Magnetic Aromaticity of Cycloporphyrin Nanorings
Chemistry, 2021 The ascertainment of magnetic aromaticity is not necessarily straightforward, especially for large and bent systems, such as the cycloporphyrin nanorings recently synthesized by the group of Anderson.
Alessandro Landi +2 more
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Molecules, 2023 Attempts at the theoretical interpretation of NMR spectra have a very long and fascinating history. Present quantum chemical calculations of shielding and indirect spin-spin couplings permit modeling NMR spectra when small, isolated molecules are studied.
Karol Jackowski, Mateusz A. Słowiński
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