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Magnetic Resonance in Chemistry : MRC
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July 14, 2010
Prediction of NMR J-coupling in solids with the planewave pseudopotential approach
Jonathan R Yates
Faraday Discussions
|
September 18, 2024
Accurate predictions of chemical shifts with the rSCAN and r<sup>2</sup>SCAN mGGA exchange-correlation functionals
Jonathan R Yates, Albert P Bartók
The Journal of Chemical Physics
|
May 3, 2019
Regularized SCAN functional
Albert P Bartók, Jonathan R Yates
The Journal of Chemical Physics
|
November 30, 2019
Response to "Comment on 'Regularized SCAN functional'" [J. Chem. Phys. 151, 207101 (2019)]
Albert P Bartók, Jonathan R Yates
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 11, 2011
First-principles investigation of the relation between structural and NMR parameters in vitreous GeO2
Mikhail Kibalchenko, Jonathan R Yates, Alfredo Pasquarello
The Journal of Chemical Physics
|
June 23, 2014
Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation
Timothy F G Green, Jonathan R Yates
ACS Nano
|
December 22, 2010
Magnetic response of single-walled carbon nanotubes induced by an external magnetic field
Mikhail Kibalchenko, Mike C Payne, Jonathan R Yates
Magnetic Resonance in Chemistry : MRC
|
August 25, 2018
An NMR crystallography investigation of furosemide
Miri Zilka, Jonathan R Yates, Steven P Brown
The Journal of Physical Chemistry. A
|
November 15, 2007
Carbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment
Limin Shao, Jonathan R Yates, Jeremy J Titman
ACS Omega
|
June 12, 2023
First-Principles Band Alignments at the Si:Anatase TiO<sub>2</sub> Interface
Yide Chang, Jonathan R Yates, Christopher E Patrick
Page
of 5
Search research articles
Search
Showing results (1-10 of 50) with videos related to
Sort By:
Page
of 5
Magnetic Resonance in Chemistry : MRC
|
July 14, 2010
Prediction of NMR J-coupling in solids with the planewave pseudopotential approach
Jonathan R Yates
Faraday Discussions
|
September 18, 2024
Accurate predictions of chemical shifts with the rSCAN and r<sup>2</sup>SCAN mGGA exchange-correlation functionals
Jonathan R Yates, Albert P Bartók
The Journal of Chemical Physics
|
May 3, 2019
Regularized SCAN functional
Albert P Bartók, Jonathan R Yates
The Journal of Chemical Physics
|
November 30, 2019
Response to "Comment on 'Regularized SCAN functional'" [J. Chem. Phys. 151, 207101 (2019)]
Albert P Bartók, Jonathan R Yates
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 11, 2011
First-principles investigation of the relation between structural and NMR parameters in vitreous GeO2
Mikhail Kibalchenko, Jonathan R Yates, Alfredo Pasquarello
The Journal of Chemical Physics
|
June 23, 2014
Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation
Timothy F G Green, Jonathan R Yates
ACS Nano
|
December 22, 2010
Magnetic response of single-walled carbon nanotubes induced by an external magnetic field
Mikhail Kibalchenko, Mike C Payne, Jonathan R Yates
Magnetic Resonance in Chemistry : MRC
|
August 25, 2018
An NMR crystallography investigation of furosemide
Miri Zilka, Jonathan R Yates, Steven P Brown
The Journal of Physical Chemistry. A
|
November 15, 2007
Carbon-13 chemical shift tensors of disaccharides: measurement, computation and assignment
Limin Shao, Jonathan R Yates, Jeremy J Titman
ACS Omega
|
June 12, 2023
First-Principles Band Alignments at the Si:Anatase TiO<sub>2</sub> Interface
Yide Chang, Jonathan R Yates, Christopher E Patrick
Page
of 5