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chemical shielding

Investigation of Basis set Effects on the NMR Chemical Shielding tensors data on (10, 10) SWCNTs Calixarene complexes

Investigation of Basis set Effects on the NMR Chemical Shielding tensors data on (10, 10) SWCNTs Calixarene complexes

... There are some methods for determination Ab initio NMR parameters such as Gauge-Including atomic orbitals (GIAO), Individual gauge for localized orbitals (IGLO), and Localized orbitals local origin (LORG) and Continuous ...

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Calculating the NMR Chemical Shielding of Large Molecules

Calculating the NMR Chemical Shielding of Large Molecules

... ani, P. Dahle, E. K. Dalskov, T. Enevoldsen, B. Fernandez, L. Ferrighi, H. Fliegl, L. Frediani, C. H¨ attig, K. Hald, A. Halkier, H. Heiberg, T. Helgaker, H. Hettema, S. Høst, B. Jansik, H. J. A. Jensen, D. Jonsson, P. ...

185

An NMR crystallography investigation of furosemide

An NMR crystallography investigation of furosemide

... This paper presents an NMR crystallography study of three polymorphs of furosemide. Experimental magic-angle spinning (MAS) solid-state NMR spec- tra are reported for form I of furosemide, and these are assigned using ...

9

A study of Fe3O4@ Si18O27 catalyst through Statistical-Nucleus Independent Chemical Shifts(S-NICS) method

A study of Fe3O4@ Si18O27 catalyst through Statistical-Nucleus Independent Chemical Shifts(S-NICS) method

... the shielding area spaces and it is dependent on the structures of the aromatic ...the chemical shielding and many other factors such as electronegativity, hydrogen bonding, and magnetic anisotropy ...

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Theoretical study on the electronic, structural, properties and reactivity of a series of mono-, di-, tri- and tetrachlorothiophenes as well as corresponding radical cation forms as monomers for conducting polymers

Theoretical study on the electronic, structural, properties and reactivity of a series of mono-, di-, tri- and tetrachlorothiophenes as well as corresponding radical cation forms as monomers for conducting polymers

... nuclear chemical shielding constants, spin-density distribution, size and direction of dipole moment vector, ionization potential, electric polarizabilities and NICS values of these compounds have been ...

8

Multinuclear NMR of hybrid proton electrolyte membranes in metal oxide frameworks

Multinuclear NMR of hybrid proton electrolyte membranes in metal oxide frameworks

... The anisotropies giving rise to a powder patterns which are recorded in static NMR experiments contains much information. However, in a spectrum con- taining more than a couple of resonances the patterns tend to overlap ...

160

ENERGY EFFICIENT DISTRIBUTED IMAGE COMPRESSION USING JPEG2000 IN WIRELESS SENSOR 
NETWORKS (WSNS)

ENERGY EFFICIENT DISTRIBUTED IMAGE COMPRESSION USING JPEG2000 IN WIRELESS SENSOR NETWORKS (WSNS)

... In this paper, the influence of the calculation point of SE and apertures’ shape on electromagnetic shielding effectiveness has been investigated. The modal MoM solution is formulated, and by employing the surface ...

7

Miniature parallel ECT: a preliminary study using COMSOL

Miniature parallel ECT: a preliminary study using COMSOL

... The configurations of sensor are [25]: •Length of shielding layers and wall: 21mm •Electrode Length: 9mm •Gap between adjacent electrodes: 1mm •Material of shielding layers and electrode[r] ...

5

MIG gas shielding : Economic savings without detriment to quality

MIG gas shielding : Economic savings without detriment to quality

... alternating shielding gas process [2-5] is a relatively new method of delivering the shielding gas to the weld ...different shielding gases, at a preset frequency, in order to take advantage of the ...

6

Electromagnetic Interference Shielding Efficiency Enhancement of the PANI-CSA Films at Broad Band Frequencies

Electromagnetic Interference Shielding Efficiency Enhancement of the PANI-CSA Films at Broad Band Frequencies

... shield. Shielding towards electromagnetic interferences (EMI) is measured over various frequency bands by the waveguide ...EMI shielding of the polymer, in the form of Shielding Efficiency (SE), is ...

12

Effect of Heat Input and Shielding Gas on Microstructure and Mechanical Properties of Austenitic Stainless Steel 304l

Effect of Heat Input and Shielding Gas on Microstructure and Mechanical Properties of Austenitic Stainless Steel 304l

... Stainless steels are an important class of engineering materials that have been used widely in a variety of industries and environments. Austenitic stainless steels have been used widely by the fabrication industry owing ...

8

Preparation and ageing resistant properties of polyester composites modified with functional nanoscale additives

Preparation and ageing resistant properties of polyester composites modified with functional nanoscale additives

... Ultra-violet (UV) radiation is a cytotoxic waveband of solar radiation reaching the Earth's surface [1]. Exposure to UV radiation from the sun is associated with different harmful effects for the organisms and synthetic ...

9

Research of the Shielding Effectiveness for Double Layer Metallic Enclosures Based on HFSS

Research of the Shielding Effectiveness for Double Layer Metallic Enclosures Based on HFSS

... the shielding effectiveness is negative, which means that the electromagnetic field of the inner air cavity is enhanced, and the electric field strength is ...no shielding to the electromagnetic field as ...

5

A Case Study on a Radiation Shielding Structure for the Cold Neutron Guide at HANARO (subtitle: Focused on a mixed proportion design and fabrication of heavy weight concrete for a radiation shielding)

A Case Study on a Radiation Shielding Structure for the Cold Neutron Guide at HANARO (subtitle: Focused on a mixed proportion design and fabrication of heavy weight concrete for a radiation shielding)

... a shielding material. Although concrete shielding blocks are normally piled up around neutron guides, the shielding room should be required to have a seismic integrity as a structural material and a ...

7

Optimization of a boundary element approach to electromagnet design with application to a host of current problems in Magnetic Resonance Imaging

Optimization of a boundary element approach to electromagnet design with application to a host of current problems in Magnetic Resonance Imaging

... three shielding approaches presented in section ...the shielding field ...and shielding field targets, the optimization parameter space is increased, leading to a further increase in computation ...

281

On the Meaning of Enclosure Shielding Effectiveness

On the Meaning of Enclosure Shielding Effectiveness

... "Predicting Shielding Effectiveness of Populated Enclosures Using Absorption Cross Section of PCBs" , 2016 International Symposium on Electromagnetic Compatibility - EMC EUROPE , 324-328 , 5-9 September, ...

7

A Shielding Concept for the MedAustron Facility

A Shielding Concept for the MedAustron Facility

... To reduce simulation time significantly biasing methods were introduced. These mathematical methods are used in Monte Carlo simulations to reduce the variance of the results in relevant areas behind thick ...

5

Impact analysis of Fresh Fuel Transport Cask by FEM

Impact analysis of Fresh Fuel Transport Cask by FEM

... The elasto plastic analysis of the fuel cask has been carried out for horizontal, vertical and oblique impacts and the strain in the fuel cask, strain in the fuel subassembly and the deformations for different time ...

8

Radiation Shielding and Bunker Design

Radiation Shielding and Bunker Design

... Neutron Shielding in Maze: In primary and secondary barriers the concrete cross-section tends to be thick enough to attenuate the ...to shielding in mazes if and when a door has to be ...

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