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Jonathan R Yates

Showing results (1-10 of 50) with videos related to

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Magnetic Resonance in Chemistry : MRC|July 14, 2010
Prediction of NMR J-coupling in solids with the planewave pseudopotential approachJonathan R Yates
Faraday Discussions|September 18, 2024
Accurate predictions of chemical shifts with the rSCAN and r<sup>2</sup>SCAN mGGA exchange-correlation functionalsJonathan R Yates, Albert P Bartók
The Journal of Chemical Physics|May 3, 2019
Regularized SCAN functionalAlbert 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 GeO2Mikhail 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 approximationTimothy F G Green, Jonathan R Yates
ACS Nano|December 22, 2010
Magnetic response of single-walled carbon nanotubes induced by an external magnetic fieldMikhail Kibalchenko, Mike C Payne, Jonathan R Yates
Magnetic Resonance in Chemistry : MRC|August 25, 2018
An NMR crystallography investigation of furosemideMiri 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 assignmentLimin Shao, Jonathan R Yates, Jeremy J Titman
ACS Omega|June 12, 2023
First-Principles Band Alignments at the Si:Anatase TiO<sub>2</sub> InterfaceYide Chang, Jonathan R Yates, Christopher E Patrick
Pageof 5

Showing results (1-10 of 50) with videos related to

Sort By:
Pageof 5
Magnetic Resonance in Chemistry : MRC|July 14, 2010
Prediction of NMR J-coupling in solids with the planewave pseudopotential approachJonathan R Yates
Faraday Discussions|September 18, 2024
Accurate predictions of chemical shifts with the rSCAN and r<sup>2</sup>SCAN mGGA exchange-correlation functionalsJonathan R Yates, Albert P Bartók
The Journal of Chemical Physics|May 3, 2019
Regularized SCAN functionalAlbert 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 GeO2Mikhail 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 approximationTimothy F G Green, Jonathan R Yates
ACS Nano|December 22, 2010
Magnetic response of single-walled carbon nanotubes induced by an external magnetic fieldMikhail Kibalchenko, Mike C Payne, Jonathan R Yates
Magnetic Resonance in Chemistry : MRC|August 25, 2018
An NMR crystallography investigation of furosemideMiri 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 assignmentLimin Shao, Jonathan R Yates, Jeremy J Titman
ACS Omega|June 12, 2023
First-Principles Band Alignments at the Si:Anatase TiO<sub>2</sub> InterfaceYide Chang, Jonathan R Yates, Christopher E Patrick
Pageof 5