Results 11 to 20 of about 12,151 (297)

Nuclear magnetic shielding in heliumlike ions [PDF]

Physical Review A
QED 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, Krzysztof Pachucki, Zoltán Harman, Christoph H. Keitel   +3 more
core   +6 more sources

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., Pachucki, K., Harman, Z., Keitel, C.   +3 more
openaire   +5 more sources

¹⁵N NMR Shifts of Eumelanin Building Blocks in Water: A Combined Quantum Mechanics/Statistical Mechanics Approach

Molecules, 2020
Theoretical results for the magnetic shielding of protonated and unprotonated nitrogens of eumelanin building blocks including monomers, dimers, and tetramers in gas phase and water are presented. The magnetic property in water was determined by carrying
Leonardo Bruno Assis Oliveira, Tertius L. Fonseca, Benedito J. C. Cabral   +2 more
doaj   +1 more source

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, Francesco Ferdinando Summa, Guglielmo Monaco   +2 more
doaj   +1 more source

Searching for the Best Values of NMR Shielding and Spin-Spin Coupling Parameters: CH_4-nF_n Series of Molecules as the Example

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
doaj   +1 more source

Particle production and energy deposition studies for the neutrino factory target station [PDF]

, 2012
We present FLUKA and MARS simulation studies of the pion production and energy deposition in the Neutrino Factory baseline target station, which consists of a 4 MW proton beam interacting with a liquid mercury jet target within a 20 T solenoidal ...
Edgecock, R. (Rob), Gersende Prior, Edgecock, Rob, Densham C, Prior G, Densham, Chris, Edgecock R, Chris Densham, Back, J. J., Rob Edgecock, Edgecock, R., Prior, Gersende, Back, John J., Back, John L., John J. Back, Back JJ   +15 more
core   +1 more source

The Radiofrequency NMR Spectra of Lithium Salts in Water; Reevaluation of Nuclear Magnetic Moments for 6Li and 7Li Nuclei

Magnetochemistry, 2018
LiCl and LiNO3 water solutions in the presence of small amounts of 3-helium have been investigated by means of multinuclear resonance spectroscopy. The resulting concentration dependences of the 3He, 6,7Li+, 14NO3− and 35Cl− resonance radiofrequencies ...
Włodzimierz Makulski
doaj   +1 more source

Characterization of magnetic field noise in the ARIADNE source mass rotor

Physical Review Research, 2022
The Axion Resonant Interaction Detection Experiment (ARIADNE) is a nuclear-magnetic-resonance-based experiment that will search for novel axion-induced spin-dependent interactions between an unpolarized source mass rotor and spin-polarized ^{3}He nuclei ...
Nancy Aggarwal, A. Schnabel, J. Voigt, Alex Brown, J. C. Long, S. Knappe-Grueneberg, W. Kilian, A. Fang, A. A. Geraci, A. Kapitulnik, D. Kim, Y. Kim, I. Lee, Y. H. Lee, C. Y. Liu, C. Lohmeyer, A. Reid, Y. Semertzidis, Y. Shin, J. Shortino, E. Smith, W. M. Snow, E. Weisman, H. Zhang   +23 more
doaj   +1 more source

Theoretical Study of H/D Isotope Effects on Nuclear Magnetic Shieldings Using an ab initio Multi-Component Molecular Orbital Method

Molecules, 2013
We have theoretically analyzed the nuclear quantum effect on the nuclear magnetic shieldings for the intramolecular hydrogen-bonded systems of σ-hydroxy acyl aromatic species using the gauge-including atomic orbital technique combined with our multi ...
Masanori Tachikawa, Takayoshi Ishimoto, Taro Udagawa   +2 more
doaj   +1 more source

Influence of stereoelectronic interactions on the 13C NMR chemical shift in iodine-containing molecules

Journal of Magnetic Resonance Open, 2022
Methyl substitution in ortho position causes a deshielding of 6–7 ppm on the 13C NMR chemical shift of the own methyl group and the carbon nucleus bonded to iodine atom (ipso) in iodobenzene-like molecules.
Renan V. Viesser, Cláudio F. Tormena
doaj   +1 more source