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Chemistry

D-Index
55
Citations
27669
World Ranking
11952
National Ranking
273

Overview

Dylan Jayatilaka is affiliated with the University of Western Australia in Australia. Their main field of study is Materials Science, with a focus on subfields including Materials Chemistry, Physical and Theoretical Chemistry, Atomic and Molecular Physics and Optics, Organic Chemistry, and Spectroscopy.

Their research covers a range of topics, notably X-ray Diffraction in Crystallography, Crystallization and Solubility Studies, Crystallography and Molecular Interactions, Advanced Chemical Physics Studies, Enzyme Structure and Function, Mass Spectrometry Techniques and Applications, and Chemical Thermodynamics and Molecular Structure.

Some of Dylan Jayatilaka's recent papers include:

  • CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals, 2021, Journal of Applied Crystallography
  • Accurate crystal structures and chemical properties from NoSpherA2, 2020, Chemical Science
  • On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model, 2020, IUCrJ
  • Hydrogen atoms in bridging positions from quantum crystallographic refinements: influence of hydrogen atom displacement parameters on geometry and electron density, 2020, CrystEngComm
  • Post-Hartree-Fock methods for Hirshfeld atom refinement: are they necessary? Investigation of a strongly hydrogen-bonded molecular crystal, 2020, Journal of Molecular Structure

Dylan Jayatilaka's frequent coauthors include:

  • Simon Grabowsky
  • M. Woińska
  • W.F. Sanjuan-Szklarz
  • P.M. Dominiak
  • M. Gutmann

Their publications have appeared predominantly in the following venues:

  • The Cambridge Structural Database
  • Acta Crystallographica Section A Foundations and Advances
  • Journal of Applied Crystallography
  • IUCrJ
  • Acta Crystallographica Section B Structural Science Crystal Engineering and Materials

Best Publications

  • Hirshfeld surface analysis

    Mark A. Spackman;Dylan Jayatilaka

  • CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

    Peter R Spackman;Michael J Turner;Joshua J McKinnon;Stephen K Wolff

  • Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces.

    Joshua J. McKinnon;Dylan Jayatilaka;Mark A. Spackman

  • CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

    Campbell F. Mackenzie;Peter R. Spackman;Dylan Jayatilaka;Mark A. Spackman

  • Electrostatic potentials mapped on Hirshfeld surfaces provide direct insight into intermolecular interactions in crystals

    Mark A. Spackman;Joshua J. McKinnon;Dylan Jayatilaka

  • Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals

    Michael J. Turner;Sajesh P. Thomas;Ming W. Shi;Dylan Jayatilaka

  • Visualisation and characterisation of voids in crystalline materials

    Michael J. Turner;Joshua J. McKinnon;Dylan Jayatilaka;Mark A. Spackman

  • Comparing entire crystal structures: structural genetic fingerprinting

    A. Parkin;G. Barr;W. Dong;C. J. Gilmore

  • Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals.

    Michael J. Turner;Simon Grabowsky;Dylan Jayatilaka;Mark A. Spackman

  • Accurate crystal structures and chemical properties from NoSpherA2

    Florian Kleemiss;Oleg V. Dolomanov;Michael Bodensteiner;Norbert Peyerimhoff

  • Hirshfeld atom refinement

    Silvia C. Capelli;Hans-Beat Bürgi;Hans-Beat Bürgi;Birger Dittrich;Birger Dittrich;Simon Grabowsky

  • Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities

    William H. Miller;Rigoberto Hernandez;Nicholas C. Handy;Dylan Jayatilaka

  • Hydrogen atoms can be located accurately and precisely by x-ray crystallography

    Magdalena Woińska;Simon Grabowsky;Paulina M. Dominiak;Krzysztof Woźniak

  • Tonto: a fortran based object-oriented system for quantum chemistry and crystallography

    Dylan Jayatilaka;Daniel J. Grimwood

  • X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculations.

    Dylan Jayatilaka;Birger Dittrich

  • Wavefunctions derived from experiment. I. Motivation and theory.

    Dylan Jayatilaka;Daniel J. Grimwood

  • Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures

    Sajesh P. Thomas;Peter Robert Spackman;Dylan Jayatilaka;Mark A. Spackman

  • Open-shell coupled-cluster theory

    Dylan Jayatilaka;Timothy J. Lee

  • Higher analytic derivatives. IV. Anharmonic effects in the benzene spectrum

    Paul E. Maslen;Nicholas C. Handy;Roger D. Amos;Dylan Jayatilaka

  • Intermolecular interactions in molecular crystals: what's in a name?

    Alison J. Edwards;Campbell F. Mackenzie;Peter R. Spackman;Dylan Jayatilaka

  • An open-shell restricted Hartree-Fock perturbation theory based on symmetric spin orbitals

    Timothy J. Lee;Dylan Jayatilaka

Frequent Co-Authors

Mark A. Spackman
Mark A. Spackman University of Western Australia
Birger Dittrich
Birger Dittrich Heinrich Heine University Düsseldorf
Nicholas C. Handy
Nicholas C. Handy University of Cambridge
Roger D. Amos
Roger D. Amos Australian National University
Peter Luger
Peter Luger Freie Universität Berlin
Tanja Schirmeister
Tanja Schirmeister Johannes Gutenberg University of Mainz
Eiji Nishibori
Eiji Nishibori University of Tsukuba
Kunihisa Sugimoto
Kunihisa Sugimoto Kyoto University
Yu-Sheng Chen
Yu-Sheng Chen Nankai University

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