Dylan Jayatilaka

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Mark SpackmanProfessor of Chemistry, University of Western AustraliaVerificeret mail på uwa.edu.au
Daniel GrimwoodDepartment of DefenceVerificeret mail på defence.gov.au
Peter R. SpackmanCurtin UniversityVerificeret mail på curtin.edu.au
Dr. Sajesh P ThomasAssistant Professor, Department of Chemistry, IIT DelhiVerificeret mail på iitd.ac.in
Ben CorryAustralian National UniversityVerificeret mail på anu.edu.au
Birger DittrichNovartis Pharma, Universität ZürichVerificeret mail på uzh.ch
Magdalena Woińskapostdoctoral researcher, University of WarsawVerificeret mail på chem.uw.edu.pl
Roger AmosAustralian National UniversityVerificeret mail på anu.edu.au
Lukáš BučinskýVerificeret mail på stuba.sk
Paulina Maria DominiakUniversity of WarsawVerificeret mail på chem.uw.edu.pl
Alessandro GenoniDepartment of Chemistry, Materials and Chemical Engineering "Giulio Natta", Politecnico di MilanoVerificeret mail på polimi.it
Lorraine Andrade MalaspinaUniversity of BernVerificeret mail på unibe.ch
Krzysztof WozniakDepartment of Chemistry, University of WarsawVerificeret mail på chem.uw.edu.pl
Alison EdwardsSenior Principal Research Scientist, Australian Centre for Neutron Scattering, ANSTOVerificeret mail på ansto.gov.au
Timothy J. LeeNASA Ames Research CenterVerificeret mail på nasa.gov
Amir KartonProfessor of Chemistry, Associate Dean of Research, University of New England (Twitter @Lab_initio)Verificeret mail på une.edu.au
Michael Thomas (ANU)Postdoctoral Research Fellow, The Australian National UniversityVerificeret mail på anu.edu.au
Eiji NishiboriUniversity of TsukubaVerificeret mail på u.tsukuba.ac.jp
Chick C WilsonUniversity of BathVerificeret mail på bath.ac.uk
Khidhir AlhameediSchool of Molecular Sciences, The University of Western AustraliaVerificeret mail på research.uwa.edu.au

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Dylan Jayatilaka

Technical University of Denmark (DTU) & University of Western Australia (UWA)

Verificeret mail på uwa.edu.au

Chemistry Physics Quantum chemistry Quantum Crystallography Computational Chemistry


Titel Sortér efter henvisninger Sortér efter årstal Sortér efter titel	Citeret af Citeret af	År
Hirshfeld surface analysis MA Spackman, D Jayatilaka CrystEngComm 11 (1), 19-32, 2009	6954	2009
CrystalExplorer17 MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ... The University of Western Australia 108, 76730, 2017	6225*	2017
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	2944	2021
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces JJ McKinnon, D Jayatilaka, MA Spackman Chemical Communications, 3814-3816, 2007	2146	2007
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	1124	2017
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	996	2008
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	644	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	586	2007
Visualisation and characterisation of voids in crystalline materials MJ Turner, JJ McKinnon, D Jayatilaka, MA Spackman CrystEngComm 13 (6), 1804-1813, 2011	530	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	497	2014
CrystalExplorer17, University of Western Australia, 2017 MJ Turner, JJ McKinnon, SK Wolff, DJ Grimwood, PR Spackman, ...	422	2017
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	288	2016
Tonto: a fortran based object-oriented system for quantum chemistry and crystallography D Jayatilaka, DJ Grimwood International Conference on Computational Science, 142-151, 2003	286	2003
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	280	1990
Accurate crystal structures and chemical properties from NoSpherA2 F Kleemiss, OV Dolomanov, M Bodensteiner, N Peyerimhoff, L Midgley, ... Chemical Science 12 (5), 1675-1692, 2021	265	2021
Hirshfeld atom refinement SC Capelli, HB Bürgi, B Dittrich, S Grabowsky, D Jayatilaka IUCrJ 1 (5), 361-379, 2014	263	2014
Wavefunctions derived from experiment. I. Motivation and theory D Jayatilaka, DJ Grimwood Acta Crystallographica Section A: Foundations of Crystallography 57 (1), 76-86, 2001	234	2001
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	232	2008
Open‐shell coupled‐cluster theory D Jayatilaka, TJ Lee The Journal of chemical physics 98 (12), 9734-9747, 1993	225	1993
Accurate lattice energies for molecular crystals from experimental crystal structures SP Thomas, PR Spackman, D Jayatilaka, MA Spackman Journal of chemical theory and computation 14 (3), 1614-1623, 2018	207	2018

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