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ACS Omega|June 12, 2023
First-Principles Band Alignments at the Si:Anatase TiO2 InterfaceYide Chang, Jonathan R Yates, Christopher E PatrickMagnetic Resonance in Chemistry : MRC|July 14, 2010
Prediction of NMR J-coupling in solids with the planewave pseudopotential approachJonathan R YatesFaraday Discussions|September 18, 2024
Accurate predictions of chemical shifts with the rSCAN and r2SCAN mGGA exchange-correlation functionalsJonathan R Yates, Albert P BartókThe Journal of Chemical Physics|May 3, 2019
Regularized SCAN functionalAlbert P Bartók, Jonathan R YatesJournal 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 PasquarelloThe 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 YatesACS Nano|December 22, 2010
Magnetic response of single-walled carbon nanotubes induced by an external magnetic fieldMikhail Kibalchenko, Mike C Payne, Jonathan R YatesMagnetic Resonance in Chemistry : MRC|August 25, 2018
An NMR crystallography investigation of furosemideMiri Zilka, Jonathan R Yates, Steven P BrownThe 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 TitmanSolid State Nuclear Magnetic Resonance|December 5, 2017
Tin chemical shift anisotropy in tin dioxide: On ambiguity of CSA asymmetry derived from MAS spectraAbil E Aliev, Albert P Bartók, Jonathan R YatesPageof 8