Dylan Jayatilaka

27.1k citations

137 papers · 21.6k indexed · 9 hit papers · h-index 48

Impact in

Physical and Theoretical Chemistry top 0.01%
- Crystallography and molecular interactions
Inorganic Chemistry top 0.05%
- Crystal structures of chemical compounds
- Metal-Organic Frameworks: Synthesis and Applications

Papers in

Physical and Theoretical Chemistry 61
- Crystallography and molecular interactions 54
Atomic and Molecular Physics, and Optics 68
- Advanced Chemical Physics Studies 61
- Spectroscopy and Quantum Chemical Studies 23

Co-authors: Mark A. Spackman Joshua J. McKinnon Michael J. Turner Peter R. Spackman Daniel J. Grimwood Stephen K. Wolff Simon Grabowsky Campbell F. R. Mackenzie
Journals: The Journal of Chemical Physics (15 papers)Chemical Physics Letters (11 papers)CrystEngComm (7 papers)The Journal of Physical Chemistry A (6 papers)IUCrJ (6 papers)
Partner nations: Australia Germany United Kingdom

In The Last Decade

Dylan Jayatilaka

136 papers receiving 21.3k citations

Hit Papers

9 papers align trajectories log scale

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals 2021 · 2.9k citations

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if any of the following hold:

it has ≥500 total citations;
it reaches ≥1.5× the top-1% citation threshold for papers in the same subfield and year (the threshold is the minimum needed to enter the top 1%, not the average within it);
it reaches the top citation threshold in at least one of its specific research topics.

2021 Journal of Applied Crystallography
2017 IUCrJ
2014 Chemical Communications
2014 The Journal of Physical Chemistry Letters
2010 CrystEngComm
2008 CrystEngComm
2008 CrystEngComm
2007 CrystEngComm
2007 Chemical Communications

Peers

Countries citing papers authored by Dylan Jayatilaka

Since Specialization

Citations

This map shows the geographic impact of Dylan Jayatilaka's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Dylan Jayatilaka with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Dylan Jayatilaka more than expected).

Fields of papers citing papers by Dylan Jayatilaka

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Dylan Jayatilaka. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Dylan Jayatilaka. The network helps show where Dylan Jayatilaka may publish in the future.

Co-authorship network

The 25 scholars most cited alongside Dylan Jayatilaka, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Dylan Jayatilaka Line = papers co-authored together Dylan Jayatilaka links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

#	Work
1	Determining the parent and associated fragment formulae in mass spectrometry via the parent subformula graph Journal of Cheminformatics ·Sean Li, Björn Bohman, Gavin R. Flematti, Dylan Jayatilaka	2023	1
2	The duhka of DFT: a noble path to better functionals via a point electron approximation for the exchange–correlation hole†,‡ Australian Journal of Chemistry ·Dylan Jayatilaka, Amir Karton	2022	2
3	X-ray constrained wavefunctions based on Hirshfeld atoms. I. Method and review Acta Crystallographica Section B Structural Science Crystal Engineering and Materials ·Max Davidson, Simon Grabowsky, Dylan Jayatilaka	2022	18
4	Similarities and Differences between Crystal and Enzyme Environmental Effects on the Electron Density of Drug Molecules Chemistry - A European Journal ·Florian Kleemiss, Hyun-Wook, Emanuel Hupf, M. Shi, Scott G. Stewart, Dylan Jayatilaka, Michael J. Turner, Kunihisa Sugimoto, Eiji Nishibori, Tanja Schirmeister, W Moore, Bernd Engels, Simon Grabowsky	2020	11
5	Hydrogen atoms in bridging positions from quantum crystallographic refinements: influence of hydrogen atom displacement parameters on geometry and electron density CrystEngComm ·Lorraine A. Malaspina, Anna A. Hoser, Alison J. Edwards, M. Woińska, Michael J. Turner, Jason R. Price∥, Kunihisa Sugimoto, Eiji Nishibori, Hans‐Beat Bürgi, Dylan Jayatilaka, Simon Grabowsky	2020	29
6	Bridging Crystal Engineering and Drug Discovery by Utilizing Intermolecular Interactions and Molecular Shapes in Crystals Angewandte Chemie International Edition ·Peter R. Spackman, Li‐Juan Yu, Craig J. Morton, Michael W. Parker, Charles S. Bond, Mark A. Spackman, Dylan Jayatilaka, Sajesh P. Thomas	2019	34
7	Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host–Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis Journal of the American Chemical Society ·M. Shi, Sajesh P. Thomas, Venkatesha R. Hathwar, Alison J. Edwards, Ross O. Piltz, Dylan Jayatilaka, George A. Koutsantonis, Jacob Overgaard, Eiji Nishibori, Bo B. Iversen, Mark A. Spackman	2019	40
8	Predicting the primary fragments in mass spectrometry usingab initioRoby–Gould bond indices International Journal of Quantum Chemistry ·pMohd Rami AlAhmarp, Björn Bohman, Amir Karton, Dylan Jayatilaka	2018	9
9	Validation of X‐ray Wavefunction Refinement ChemPhysChem ·M. Woińska, Dylan Jayatilaka, Birger Dittrich, Ralf Flaig, Peter Luger, Krzysztof Woźniak, P.M. Dominiak, Simon Grabowsky	2017	54
10	Validation of X‐ray Wavefunction Refinement ChemPhysChem ·M. Woińska, Dylan Jayatilaka, Birger Dittrich, Ralf Flaig, Peter Luger, Krzysztof Woźniak, P.M. Dominiak, Simon Grabowsky	2017	1
11	Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2 IUCrJ ·Louise Wiegenstein, Dylan Jayatilaka, Emanuel Hupf, Jacob Overgaard, Venkatesha R. Hathwar, Piero Macchi, Michael J. Turner, Judith A. K. Howard, Oleg V. Dolomanov, Horst Puschmann, Bo B. Iversen, Hans‐Beat Bürgi, Simon Grabowsky	2017	90
12	Quantum chemical electron impact mass spectrum prediction for de novo structure elucidation: Assessment against experimental reference data and comparison to competitive fragmentation modeling International Journal of Quantum Chemistry ·Peter R. Spackman, Björn Bohman, Amir Karton, Dylan Jayatilaka	2017	13
13	Basis set convergence of CCSD(T) equilibrium geometries using a large and diverse set of molecular structures The Journal of Chemical Physics ·Peter R. Spackman, Dylan Jayatilaka, Amir Karton	2016	67
14	An Entropic Mechanism of Generating Selective Ion Binding in Macromolecules PLoS Computational Biology ·Michael Thomas, Dylan Jayatilaka, Ben Corry	2013	6
15	The Significance of Ionic Bonding in Sulfur Dioxide: Bond Orders from X‐ray Diffraction Data Angewandte Chemie International Edition ·Simon Grabowsky, Peter Luger, J. Buschmann, 川尻剛照, Tanja Schirmeister, Alexandre N. Sobolev, Dylan Jayatilaka	2012	95
16	Refractive indices for molecular crystals from the response of X-ray constrained Hartree–Fock wavefunctions Physical Chemistry Chemical Physics ·Dylan Jayatilaka, Parthapratim Munshi, Michael J. Turner, Judith A. K. Howard, Mark A. Spackman	2009	39
17	Simulation of Structure, Orientation, and Energy Transfer between AlexaFluor Molecules Attached to MscL Biophysical Journal ·Ben Corry, Dylan Jayatilaka	2008	38
18	Determination of the Orientational Distribution and Orientation Factor for Transfer between Membrane-Bound Fluorophores using a Confocal Microscope Biophysical Journal ·Ben Corry, Dylan Jayatilaka, Boris Martinac, Paul Rigby	2006	41
19	A Flexible Approach to the Calculation of Resonance Energy Transfer Efficiency between Multiple Donors and Acceptors in Complex Geometries Biophysical Journal ·Ben Corry, Dylan Jayatilaka, Paul Rigby	2005	80
20	Cyclopropa-Fused Quinones. The Generation and Trapping of Bicyclo[4.1.0]hepta-1(6),3-diene-2,5-dione and 1 H -Cyclopropa[ b ]naphthalene-2,7-dione Australian Journal of Chemistry ·Gavin E. Collis, Dylan Jayatilaka, Dieter Wege	1997	9

About Dylan Jayatilaka

Dylan Jayatilaka is a scholar working on Physical and Theoretical Chemistry, Atomic and Molecular Physics, and Optics, Spectroscopy, Inorganic Chemistry and Biophysics, having authored 137 papers that have together received 21.6k indexed citations. Recurring topics across this work include Advanced Chemical Physics Studies (61 papers), Crystallography and molecular interactions (54 papers), X-ray Diffraction in Crystallography (24 papers), Spectroscopy and Quantum Chemical Studies (23 papers), Inorganic Fluorides and Related Compounds (20 papers), Solid-state spectroscopy and crystallography (13 papers), Chemical Thermodynamics and Molecular Structure (13 papers) and Advanced NMR Techniques and Applications (10 papers). The work is most often cited by research in Physical and Theoretical Chemistry (8.3k citations), Inorganic Chemistry (7.6k citations), Organic Chemistry (8.5k citations), Electronic, Optical and Magnetic Materials (4.7k citations) and Materials Chemistry (7.3k citations). Dylan Jayatilaka has collaborated with scholars based in Australia, Germany and United Kingdom. Frequent co-authors include Mark A. Spackman, Joshua J. McKinnon, Michael J. Turner, Peter R. Spackman, Daniel J. Grimwood, Stephen K. Wolff, Simon Grabowsky, Campbell F. R. Mackenzie, Sajesh P. Thomas and Timothy J. Lee. Their work appears in journals such as The Journal of Chemical Physics, Chemical Physics Letters, CrystEngComm, The Journal of Physical Chemistry A and IUCrJ.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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