Dylan Jayatilaka

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 15

Top Venues

IUCrJ

Journal of applied crystallography

Acta crystallographica Section B, Structural science, crystal engineering and materials

Acta crystallographica. Section A, Foundations and advances

University of Western Australia

University of Cambridge (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Western Australia

Australia

Professor :: Chemistry

Education History

University of Cambridge

United Kingdom

PHD :: Chemistry

Publications

Emanuel Hupf, Florian Kleemiss, Tobias Borrmann, Rumpa Pal, Joanna M Krzeszczakowska, Magdalena Woinska, Dylan Jayatilaka, Alessandro Genoni, Simon Grabowsky
The effects of experimentally obtained electron correlation and polarization on electron densities and exchange-correlation potentials. The Journal of chemical physics 158 (12) (2023)
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review. Acta crystallographica Section B, Structural science, crystal engineering and materials 78 (Pt 3 Pt 1) (2022)
Max L Davidson, Simon Grabowsky, Dylan Jayatilaka
X-ray constrained wavefunctions based on Hirshfeld atoms. II. Reproducibility of electron densities in crystals of α-oxalic acid dihydrate. Acta crystallographica Section B, Structural science, crystal engineering and materials 78 (Pt 3 Pt 1) (2022)
Peter R Spackman, Michael J Turner, Joshua J McKinnon, Stephen K Wolff, Daniel J Grimwood, Dylan Jayatilaka, Mark A Spackman
CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals. Journal of applied crystallography 54 (Pt 3) (2021)
Florian Kleemiss, Erna Katharina Wieduwilt, Emanuel Hupf, Ming W Shi, Scott G Stewart, Dylan Jayatilaka, Michael J Turner, Kunihisa Sugimoto, Eiji Nishibori, Tanja Schirmeister, Thomas C Schmidt, Bernd Engels, Simon Grabowsky
Similarities and Differences between Crystal and Enzyme Environmental Effects on the Electron Density of Drug Molecules. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (10) (2021)
Michal Podhorský, Lukáš Bučinský, Dylan Jayatilaka, Simon Grabowsky
HgH2 meets relativistic quantum crystallography. How to teach relativity to a non-relativistic wavefunction. Acta crystallographica. Section A, Foundations and advances 77 (Pt 1) (2021)
Lorraine A Malaspina, Alessandro Genoni, Dylan Jayatilaka, Michael J Turner, Kunihisa Sugimoto, Eiji Nishibori, Simon Grabowsky
The advanced treatment of hydrogen bonding in quantum crystallography. Journal of applied crystallography 54 (Pt 3) (2021)
Florian Kleemiss, Oleg V Dolomanov, Michael Bodensteiner, Norbert Peyerimhoff, Laura Midgley, Luc J Bourhis, Alessandro Genoni, Lorraine A Malaspina, Dylan Jayatilaka, John L Spencer, Fraser White, Bernhard Grundkötter-Stock, Simon Steinhauer, Dieter Lentz, Horst Puschmann, Simon Grabowsky
Accurate crystal structures and chemical properties from NoSpherA2. Chemical science 12 (5) (2020)
Justin Bergmann, Max Davidson, Esko Oksanen, Ulf Ryde, Dylan Jayatilaka
fragHAR: towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins. IUCrJ 7 (Pt 2) (2020)
Lukáš Bučinský, Dylan Jayatilaka, Simon Grabowsky
Relativistic quantum crystallography of diphenyl- and dicyanomercury. Theoretical structure factors and Hirshfeld atom refinement. Acta crystallographica. Section A, Foundations and advances 75 (Pt 5) (2019)
Khidhir Alhameedi, Amir Karton, Dylan Jayatilaka, Sajesh P Thomas
Bond orders for intermolecular interactions in crystals: charge transfer, ionicity and the effect on intramolecular bonds. IUCrJ 5 (Pt 5) (2018)
Malte Fugel, Dylan Jayatilaka, Emanuel Hupf, Jacob Overgaard, Venkatesha R Hathwar, Piero Macchi, Michael J Turner, Judith A K Howard, Oleg V Dolomanov, Horst Puschmann, Bo Brummerstedt Iversen, Hans Beat Bürgi, Simon Grabowsky
Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ 5 (Pt 1) (2018)
Sajesh P Thomas, Ming W Shi, George A Koutsantonis, Dylan Jayatilaka, Alison J Edwards, Mark A Spackman
The Elusive Structural Origin of Plastic Bending in Dimethyl Sulfone Crystals with Quasi-isotropic Crystal Packing. Angewandte Chemie (International ed. in English) 56 (29) (2017)
Campbell Frank Ross Mackenzie, Peter R Spackman, Dylan Jayatilaka, Mark A Spackman
CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems. IUCrJ 4 (Pt 5) (2017)
Magdalena Woińska, Simon Grabowsky, Paulina M Dominiak, Krzysztof Woźniak, Dylan Jayatilaka
Hydrogen atoms can be located accurately and precisely by x-ray crystallography. Science advances 2 (5) (2016)

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Publication Activity (10 Years)

Top Topics

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Dylan Jayatilaka