scholarly journals Correction: Achieving high resolution and optimizing sensitivity in spatial frequency encoding NMR spectroscopy: from theory to practice

2016 ◽  
Vol 18 (45) ◽  
pp. 31338-31338
Author(s):  
Bertrand Plainchont ◽  
Daisy Pitoux ◽  
Ghanem Hamdoun ◽  
Jean-Michel Ouvrard ◽  
Denis Merlet ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
High Resolution ◽  
Spatial Frequency ◽  
Chem Phys ◽  
Theory To Practice ◽  
Frequency Encoding ◽  
Phys Chem Chem Phys

Correction for ‘Achieving high resolution and optimizing sensitivity in spatial frequency encoding NMR spectroscopy: from theory to practice’ by Bertrand Plainchont et al., Phys. Chem. Chem. Phys., 2016, 18, 22827–22839.

scholarly journals Achieving high resolution and optimizing sensitivity in spatial frequency encoding NMR spectroscopy: from theory to practice

2016 ◽  
Vol 18 (33) ◽  
pp. 22827-22839 ◽  
Author(s):  
Bertrand Plainchont ◽  
Daisy Pitoux ◽  
Ghanem Hamdoun ◽  
Jean-Michel Ouvrard ◽  
Denis Merlet ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
High Resolution ◽  
Spatial Frequency ◽  
Detailed Analysis ◽  
Nmr Spectra ◽  
Theory To Practice ◽  
Frequency Encoding

A detailed analysis of NMR spectra based on spatial frequency encoding is presented.

Fast high-resolution 2D NMR spectroscopy in inhomogeneous fields via Hadamard frequency encoding and spatial encoding

2013 ◽  
Vol 582 ◽  
pp. 148-153 ◽  
Author(s):  
Zhiyong Zhang ◽  
Shuhui Cai ◽  
Kaiyu Wang ◽  
Hao Chen ◽  
Yushan Chen ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
High Resolution ◽  
2D Nmr ◽  
2D Nmr Spectroscopy ◽  
Spatial Encoding ◽  
Frequency Encoding ◽  
Inhomogeneous Fields

scholarly journals Correction: Flexible lipid nanomaterials studied by NMR spectroscopy

2021 ◽  
Vol 23 (34) ◽  
pp. 19083-19083
Author(s):  
K. J. Mallikarjunaiah ◽  
Jacob J. Kinnun ◽  
Horia I. Petrache ◽  
Michael F. Brown
Keyword(s):  
Nmr Spectroscopy ◽  
Chem Phys ◽  
Phys Chem Chem Phys

Correction for ‘Flexible lipid nanomaterials studied by NMR spectroscopy’ by K. J. Mallikarjunaiah et al., Phys. Chem. Chem. Phys., 2019, 21, 18422–18457, DOI: 10.1039/C8CP06179C.

scholarly journals Correction: Analysis of local molecular motions of aromatic sidechains in proteins by 2D and 3D fast MAS NMR spectroscopy and quantum mechanical calculations

2017 ◽  
Vol 19 (31) ◽  
pp. 21210-21210
Author(s):  
Piotr Paluch ◽  
Tomasz Pawlak ◽  
Agata Jeziorna ◽  
Julien Trébosc ◽  
Guangjin Hou ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Chem Phys ◽  
Mas Nmr ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Molecular Motions ◽  
Fast Mas ◽  
2D And 3D ◽  
Phys Chem Chem Phys

Correction for ‘Analysis of local molecular motions of aromatic sidechains in proteins by 2D and 3D fast MAS NMR spectroscopy and quantum mechanical calculations’ by Piotr Paluch et al., Phys. Chem. Chem. Phys., 2015, 17, 28789–28801.

Three-fold astigmatism: An important TEM aberration

1993 ◽  
Vol 51 ◽  
pp. 972-973 ◽  
Author(s):  
O.L. Krivanek ◽  
M.L. Leber
Keyword(s):  
High Resolution ◽  
Spatial Frequency ◽  
Field Emission ◽  
Azimuthal Angle ◽  
Hollow Cone ◽  
Small Probe ◽  
Wide Range ◽  
High Resolution Images ◽  
Image Position

Three-fold astigmatism resembles regular astigmatism, but it has 3-fold rather than 2-fold symmetry. Its contribution to the aberration function χ(q) can be written as:where A3 is the coefficient of 3-fold astigmatism, λ is the electron wavelength, q is the spatial frequency, ϕ the azimuthal angle (ϕ = tan-1 (qy/qx)), and ϕ3 the direction of the astigmatism.Three-fold astigmatism is responsible for the “star of Mercedes” aberration figure that one obtains from intermediate lenses once their two-fold astigmatism has been corrected. Its effects have been observed when the beam is tilted in a hollow cone over a wide range of angles, and there is evidence for it in high resolution images of a small probe obtained in a field emission gun TEM/STEM instrument. It was also expected to be a major aberration in sextupole-based Cs correctors, and ways were being developed for dealing with it on Cs-corrected STEMs.

`Diet GMKTN55' Offers Accelerated Benchmarking Through a Representative Subset Approach

2018 ◽  
Author(s):  
Tim Gould
Keyword(s):  
Density Functional ◽  
Chem Phys ◽  
Comprehensive Analysis ◽  
Genetic Approach ◽  
Representative Subset ◽  
Phys Chem Chem Phys

The GMTKN55 benchmarking protocol introduced by [Goerigk et al., Phys. Chem. Chem. Phys., 2017, 19, 32184] allows comprehensive analysis and ranking of density functional approximations with diverse chemical behaviours. But this comprehensiveness comes at a cost: GMTKN55's 1500 benchmarking values require energies for around 2500 systems to be calculated, making it a costly exercise. This manuscript introduces three subsets of GMTKN55, consisting of 30, 100 and 150 systems, as `diet' substitutes for the full database. The subsets are chosen via a stochastic genetic approach, and consequently can reproduce key results of the full GMTKN55 database, including ranking of approximations.

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