Dylan Jayatilaka

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Mark SpackmanProfessor of Chemistry, University of Western AustraliaVerified email at uwa.edu.au
Daniel GrimwoodDepartment of DefenceVerified email at defence.gov.au
Peter R. SpackmanCurtin UniversityVerified email at curtin.edu.au
Ben CorryAustralian National UniversityVerified email at anu.edu.au
Dr. Sajesh P ThomasAssistant Professor, Department of Chemistry, IIT DelhiVerified email at iitd.ac.in
Birger DittrichUniversität ZürichVerified email at uzh.ch
Roger AmosAustralian National UniversityVerified email at anu.edu.au
Magdalena Woińskapostdoctoral researcher, University of WarsawVerified email at chem.uw.edu.pl
Lukáš BučinskýVerified email at stuba.sk
Paulina Maria DominiakUniversity of WarsawVerified email at chem.uw.edu.pl
Krzysztof WozniakDepartment of Chemistry, University of WarsawVerified email at chem.uw.edu.pl
Timothy J. LeeNASA Ames Research CenterVerified email at nasa.gov
Alison EdwardsSenior Principal Research Scientist, Australian Centre for Neutron Scattering, ANSTOVerified email at ansto.gov.au
Alessandro GenoniLaboratory of Theoretical Physics and Chemistry, CNRS & University of LorraineVerified email at univ-lorraine.fr
Amir KartonProfessor of Chemistry, Associate Dean of Research, University of New England (Twitter @Lab_initio)Verified email at une.edu.au
Michael Thomas (ANU)Postdoctoral Research Fellow, The Australian National UniversityVerified email at anu.edu.au
Eiji NishiboriUniversity of TsukubaVerified email at u.tsukuba.ac.jp
Chick C WilsonUniversity of BathVerified email at bath.ac.uk
William H. GreenHoyt C. Hottel Professor of Chemical Engineering, MITVerified email at mit.edu
Khidhir AlhameediSchool of Molecular Sciences, The University of Western AustraliaVerified email at research.uwa.edu.au

Dylan Jayatilaka

University of Western Australia

Verified email at uwa.edu.au

Chemistry Physics Quantum chemistry Theoretical Chemistry Computational Chemistry


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Hirshfeld surface analysis MA Spackman, D Jayatilaka CrystEngComm 11 (1), 19-32, 2009	5732	2009
CrystalExplorer17 MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ... The University of Western Australia 108, 76730, 2017	5645*	2017
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces JJ McKinnon, D Jayatilaka, MA Spackman Chemical Communications, 3814-3816, 2007	1755	2007
CrystalExplorer: A program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals PR Spackman, MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, ... Journal of Applied Crystallography 54 (3), 1006-1011, 2021	1452	2021
Electrostatic potentials mapped on Hirshfeld surfaces provide direct insight into intermolecular interactions in crystals MA Spackman, JJ McKinnon, D Jayatilaka CrystEngComm 10 (4), 377-388, 2008	887	2008
CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems CF Mackenzie, PR Spackman, D Jayatilaka, MA Spackman IUCrJ 4 (5), 575-587, 2017	829	2017
Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals MJ Turner, SP Thomas, MW Shi, D Jayatilaka, MA Spackman Chemical Communications 51 (18), 3735-3738, 2015	524	2015
Comparing entire crystal structures: structural genetic fingerprinting A Parkin, G Barr, W Dong, CJ Gilmore, D Jayatilaka, JJ McKinnon, ... CrystEngComm 9 (8), 648-652, 2007	516	2007
Visualisation and characterisation of voids in crystalline materials MJ Turner, JJ McKinnon, D Jayatilaka, MA Spackman CrystEngComm 13 (6), 1804-1813, 2011	384	2011
Accurate and efficient model energies for exploring intermolecular interactions in molecular crystals MJ Turner, S Grabowsky, D Jayatilaka, MA Spackman The journal of physical chemistry letters 5 (24), 4249-4255, 2014	383	2014
Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities WH Miller, R Hernandez, NC Handy, D Jayatilaka, A Willetts Chemical physics letters 172 (1), 62-68, 1990	263	1990
CrystalExplorer17, University of Western Australia, 2017 MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ...	254	2017
Tonto: a fortran based object-oriented system for quantum chemistry and crystallography D Jayatilaka, DJ Grimwood International Conference on Computational Science, 142-151, 2003	254	2003
Hydrogen atoms can be located accurately and precisely by x-ray crystallography M Woińska, S Grabowsky, PM Dominiak, K Woźniak, D Jayatilaka Science advances 2 (5), e1600192, 2016	229	2016
Wavefunctions derived from experiment. I. Motivation and theory D Jayatilaka, DJ Grimwood Acta Crystallographica Section A: Foundations of Crystallography 57 (1), 76-86, 2001	217	2001
Hirshfeld atom refinement SC Capelli, HB Bürgi, B Dittrich, S Grabowsky, D Jayatilaka IUCrJ 1 (5), 361-379, 2014	216	2014
Open‐shell coupled‐cluster theory D Jayatilaka, TJ Lee The Journal of chemical physics 98 (12), 9734-9747, 1993	211	1993
X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculations D Jayatilaka, B Dittrich Acta Crystallographica Section A: Foundations of Crystallography 64 (3), 383-393, 2008	191	2008
Higher analytic derivatives. IV. Anharmonic effects in the benzene spectrum PE Maslen, NC Handy, RD Amos, D Jayatilaka The Journal of chemical physics 97 (6), 4233-4254, 1992	190	1992
An open-shell restricted Hartree—Fock perturbation theory based on symmetric spin orbitals TJ Lee, D Jayatilaka Chemical physics letters 201 (1-4), 1-10, 1993	166	1993

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