Permeability is arguably the most important property in evaluating fluid flow in the reservoir. It is also one of the most difficult parameters to measure in field. One of the main techniques for determining permeability is the application of Nuclear Magnetic Resonance (NMR) logging across the borehole. However, available correlations in literature for estimating permeability from NMR data do n...

We report the results of 27Aland 93Nbnuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) measurements in PrNb2Al20 single crystals. The field angle dependence of the observed 93Nb-NMR lines for the single crystal at around 5 T and at 50K is reproduced by a simulation using previously reported NQR parameters νQ,Nb ≈ 1.82MHz and ηNb ≈ 0, while 27Al-NMR lines were not reproduce...

Solid-state (95)Mo nuclear magnetic resonance (NMR) properties of molybdenum hexacarbonyl have been computed using density functional theory (DFT) based methods. Both quadrupolar coupling and chemical shift parameters were evaluated and compared with parameters of high precision determined using single-crystal (95)Mo NMR experiments. Within a molecular approach, the effects of major computation...

Solid-state Mo nuclear magnetic resonance (NMR) properties of molybdenum hexacarbonyl have been computed using density functional theory (DFT) based methods. Both quadrupolar coupling and chemical shift parameters were evaluated and compared with parameters of high precision determined using single-crystal Mo NMR experiments. Within a molecular approach, the effects of major computational param...

The Dopamine has been studied theoretically at the B3LYP/6-31G* level were performed in gasphase. We calculated physical parameters like atomic charges, energy (=>), asymmetry parameter(?), chemical shift @iso, dipole moment and isotropic NMR determinant and in this work we usedGaussian 03 at NMR and calculation by using B3LYP methods with 6-31G* basis set.

High-resolution O multiple-quantum MAS (MQMAS) NMR spectra have been obtained for zeolite HY in order to study its local structure and Brønsted acidity. The O NMR signals due to all the different oxygen environments have been observed in one single experiment, including the readily-resolved signals arising from the two types of oxygen atoms of the zeolite framework (Si–O–Al and Si–O–Si), and ox...

We discovered that serious issues could arise that may complicate interpretation of metabolomic data when identical samples are analyzed at more than one NMR facility, or using slightly different NMR parameters on the same instrument. This is important because cross-center validation metabolomics studies are essential for the reliable application of metabolomics to clinical biomarker discovery....

sulforaphane, an isothiocyanate found in broccoli and other cruciferous vegetables. it is an antioxidantand anti-cancer agent, and reduces blood pressure, and also has anti-allergic effects.in this article, six theoretical methods have been used for calculation of physical parameters insolforaphane and several similar compounds. we calculated physical parameters like atomic charges.energy (ae) ...