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J

Jonathan R. Yates

university of oxford

43H-index
137Paper Count
1.9WCitation Count
Published Papers 49
Publication Date
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Harnessing microalgae for the biosynthesis of molecular crystals
errNature Biotechnology
IF41.7
err2026-02-19
err0
errOAAI
errAvital Wagner; Noam Margalit; Yahel Fishman; Shashanka S. Indri; Alexander Upcher; Mark Baranov; Einat Nativ-Roth; Colan E. Hughes; Benson M. Kariuki; Johannes S. Haataja; Lukas Schertel; Jonathan R. Yates; Kenneth D. M. Harris; Allen R. Place; Peter Mojzes; Benjamin A. Palmer
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Accurate predictions of chemical shifts with the rSCAN and r2SCAN mGGA exchange-correlation functionals
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err1
errOAAI
errYates, Jonathan R.; Bartok, Albert P.
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Challenges and opportunities for NMR calculations: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
PREAI
errAshbrook, Sharon E.; Beran, Gregory J. O.; Blahut, Jan; Blanc, Frederic; Brammer, Lee; Brough, Harry; Brown, Steven P.; Bornes, Carlos; Charpentier, Thibault; Dracinsky, Martin; Dudek, Marta K.; Emsley, Lyndon; Fellowes, Thomas; Gervais, Christel; Griffith, Kent J.; Griffin, John; Goward, Gillian R.; Hodgkinson, Paul; Hughes, Colan E.; Hope, Michael A.; Kocher, Simone S.; Laurencin, Danielle; Li, Zhiyuan; Lill, Sten O. Nilsson; Morris, Andrew J.; Mueller, Leonard J.; Price, Sarah L.; Yates, Jonathan R.
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Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
errPHYSICAL REVIEW B
IF3.7
err2023-09-06
err7
errOAAI
errShi, Benjamin X.; Nicholls, Rebecca J.; Yates, Jonathan R.
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errSave
First-Principles Band Alignments at the Si:Anatase TiO2 Interface
errACS OMEGA
IF4.3
err2023-05-22
err1
errOAAI
errChang, Yide; Yates, Jonathan R.; Patrick, Christopher E.
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errSave
Mapping of N-C Bond Formation from a Series of Crystalline Peri-Substituted Naphthalenes by Charge Density and Solid-State NMR Methodologies
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2021-10-01
err4
errOAAI
errRees, Gregory J.; Pitak, Mateusz B.; Lari, Alberth; Day, Stephen P.; Yates, Jonathan R.; Gierth, Peter; Barnsley, Kristian; Smith, Mark E.; Coles, Simon J.; Hanna, John, V; Wallis, John D.
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Automated high-throughput Wannierisation
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2020-06-01
err49
errOAAI
errVitale, Valerio; Pizzi, Giovanni; Marrazzo, Antimo; Yates, Jonathan R.; Marzari, Nicola; Mostofi, Arash A.
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Response to Comment on 'Regularized SCAN functional' [J. Chem. Phys. 151, 207101 (2019)]
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-11-26
err19
errOAAI
errBartok, Albert P.; Yates, Jonathan R.
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errSave
Ultrasoft pseudopotentials with kinetic energy density support: Implementing the Tran-Blaha potential
errPHYSICAL REVIEW B
IF3.7
err2019-06-03
err17
errOAAI
errBartok, Albert P.; Yates, Jonathan R.
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errSave
Regularized SCAN functional
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-04-29
err195
errOAAI
errBartok, Albert P.; Yates, Jonathan R.
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errSave
Theory of momentum-resolved phonon spectroscopy in the electron microscope
errPHYSICAL REVIEW B
IF3.7
err2019-03-11
err28
errOAAI
errNicholls, R. J.; Hage, F. S.; McCulloch, D. G.; Ramasse, Q. M.; Refson, K.; Yates, J. R.
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errSave
The Lorentz sphere visualised
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-03-01
err2
errOAAI
errSturniolo, S.; Yates, J. R.
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errSave
Imaging the local electronic and magnetic properties of intrinsically phase separated Rbx(Fe2-ySe2 superconductor using scanning microscopy techniques
errSUPERCONDUCTOR SCIENCE & TECHNOLOGY
IF4.2
err2019-02-27
err6
errOAAI
errDudin, P.; Herriott, D.; Davies, T.; Krzton-Maziopa, A.; Pomjakushina, E.; Conder, K.; Cacho, C.; Yates, J. R.; Speller, S. C.
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errSave
Nanoscale momentum-resolved vibrational spectroscopy
errSCIENCE ADVANCES
IF12.5
err2018-06-01
err106
errOAAI
errHage, Fredrik S.; Nicholls, Rebecca J.; Yates, Jonathan R.; McCulloch, Dougal G.; Lovejoy, Tracy C.; Dellby, Niklas; Krivanek, Ondrej L.; Refson, Keith; Ramasse, Quentin M.
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Improving Confidence in Crystal Structure Solutions Using NMR Crystallography: The Case of β-Piroxicam
errCRYSTAL GROWTH & DESIGN
IF3.4
err2018-04-10
err38
errOAAI
errTatton, Andrew S.; Blade, Helen; Brown, Steven P.; Hodgkinson, Paul; Hughes, Leslie P.; Lill, Sten O. Nilsson; Yates, Jonathan R.
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errSave
Visualising crystal packing interactions in solid-state NMR: Concepts and applications
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-10-11
err20
errOAAI
errZilka, Miri; Sturniolo, Simone; Brown, Steven P.; Yates, Jonathan R.
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errSave
Gauge-including projector augmented-wave NMR chemical shift calculations with DFT plus U
errPHYSICAL REVIEW B
IF3.7
err2017-07-27
err6
errOAAI
errShih, Bi-Ching; Yates, Jonathan R.
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errSave
Ab initio cycloidal and chiral magnetoelectric responses in Cr2O3
errPHYSICAL REVIEW B
IF3.7
err2016-09-28
err4
errOAAI
errTillack, Natalie; Yates, Jonathan R.; Radaelli, Paolo G.
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errSave
Investigating Unusual Homonuclear Intermolecular Through-Space J Couplings in Organochalcogen Systems
errINORGANIC CHEMISTRY
IF4.7
err2016-07-17
err15
errOAAI
errCamacho, Paula Sanz; McKay, David; Dawson, Daniel M.; Kirst, Christin; Yates, Jonathan R.; Green, Timothy F. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Ashbrook, Sharon E.
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Insight into Hydrogen Bonding of Uranyl Hydroxide Layers and Capsules by Use of 1H Magic-Angle Spinning NMR Spectroscopy
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2016-05-06
err22
errOAAI
errAlam, Todd M.; Liao, Zuolei; Nyman, May; Yates, Jonathan
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Research Directions

The data has not been retrieved yet.
Co-authors
Cooperation Journals
D
David Vanderbilt
H-index: 118 · Papers: 607
A
Alexandra M. Z. Slawin
H-index: 106 · Papers: 5.3K
L
Lyndon Emsley
H-index: 106 · Papers: 739
F
Francesco Mauri
H-index: 97 · Papers: 596
C
Chris J. Pickard
H-index: 92 · Papers: 512
View more