Mark A. Spackman

36.1k total citations · 13 hit papers
177 papers, 30.0k citations indexed

About

Mark A. Spackman is a scholar working on Physical and Theoretical Chemistry, Materials Chemistry and Atomic and Molecular Physics, and Optics. According to data from OpenAlex, Mark A. Spackman has authored 177 papers receiving a total of 30.0k indexed citations (citations by other indexed papers that have themselves been cited), including 93 papers in Physical and Theoretical Chemistry, 74 papers in Materials Chemistry and 64 papers in Atomic and Molecular Physics, and Optics. Recurrent topics in Mark A. Spackman's work include Crystallography and molecular interactions (85 papers), Advanced Chemical Physics Studies (54 papers) and X-ray Diffraction in Crystallography (25 papers). Mark A. Spackman is often cited by papers focused on Crystallography and molecular interactions (85 papers), Advanced Chemical Physics Studies (54 papers) and X-ray Diffraction in Crystallography (25 papers). Mark A. Spackman collaborates with scholars based in Australia, United States and Denmark. Mark A. Spackman's co-authors include Dylan Jayatilaka, Joshua J. McKinnon, Anthony S. Mitchell, Michael J. Turner, Peter R. Spackman, P. G. Byrom, Daniel J. Grimwood, Stephen K. Wolff, Campbell F. R. Mackenzie and Sajesh P. Thomas and has published in prestigious journals such as Chemical Reviews, Journal of the American Chemical Society and Physical Review Letters.

In The Last Decade

Mark A. Spackman

170 papers receiving 29.5k citations

Hit Papers

Hirshfeld surface analysis 1997 2026 2006 2016 2008 2002 2007 2021 2004 2.0k 4.0k 6.0k
What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

  1. Hirshfeld surface analysis
    2008 6.3k citations Mark A. Spackman, Dylan Jayatilaka CrystEngComm profile →
  2. Fingerprinting intermolecular interactions in molecular crystals
    2002 3.3k citations Mark A. Spackman et al. CrystEngComm profile →
  3. Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces
    2007 2.9k citations Dylan Jayatilaka, Mark A. Spackman et al. profile →
  4. CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
    2021 2.9k citations Peter R. Spackman, Dylan Jayatilaka et al. profile →
  5. Novel tools for visualizing and exploring intermolecular interactions in molecular crystals
    2004 2.3k citations Mark A. Spackman et al. Acta Crystallographica Section B Structural Science profile →
  6. A novel definition of a molecule in a crystal
    1997 1.1k citations Mark A. Spackman, P. G. Byrom Chemical Physics Letters profile →
  7. CrystalExplorermodel energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems
    2017 1.1k citations Peter R. Spackman, Dylan Jayatilaka et al. profile →
  8. Hirshfeld Surfaces: A New Tool for Visualising and Exploring Molecular Crystals
    1998 760 citations Mark A. Spackman et al. profile →
  9. Electrostatic potentials mapped on Hirshfeld surfaces provide direct insight into intermolecular interactions in crystals
    2008 695 citations Mark A. Spackman, Dylan Jayatilaka et al. CrystEngComm profile →
  10. Energy frameworks: insights into interaction anisotropy and the mechanical properties of molecular crystals
    2014 600 citations Sajesh P. Thomas, M. Shi et al. profile →
  11. Comparing entire crystal structures: structural genetic fingerprinting
    2007 520 citations Dylan Jayatilaka, Mark A. Spackman et al. CrystEngComm profile →
  12. Visualisation and characterisation of voids in crystalline materials
    2010 508 citations Dylan Jayatilaka, Mark A. Spackman et al. CrystEngComm profile →
  13. Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals
    2014 454 citations Dylan Jayatilaka, Mark A. Spackman et al. profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name h Career Trend Papers Cites
Mark A. Spackman Australia 53 12.4k 12.4k 11.6k 10.1k 7.5k 177 30.0k
Dylan Jayatilaka Australia 48 8.3k 0.7× 8.5k 0.7× 7.6k 0.7× 7.3k 0.7× 4.7k 0.6× 137 21.6k
Antonio Frontera Spain 79 15.6k 1.3× 10.9k 0.9× 15.1k 1.3× 8.3k 0.8× 6.5k 0.9× 1.1k 31.3k
Frank H. Allen United Kingdom 48 9.2k 0.7× 14.2k 1.1× 12.6k 1.1× 7.8k 0.8× 3.9k 0.5× 209 29.2k
Patrick McCabe United Kingdom 20 6.0k 0.5× 8.9k 0.7× 9.4k 0.8× 6.3k 0.6× 4.2k 0.6× 44 20.7k
Simon Parsons United Kingdom 79 4.0k 0.3× 9.2k 0.7× 10.7k 0.9× 11.6k 1.1× 9.8k 1.3× 670 26.6k
Maurizio Cossi Italy 39 7.1k 0.6× 15.5k 1.3× 5.5k 0.5× 9.5k 0.9× 4.0k 0.5× 119 34.5k
Kari Rissanen Finland 76 8.2k 0.7× 16.7k 1.3× 8.9k 0.8× 10.0k 1.0× 4.3k 0.6× 891 30.0k
Dario Braga Italy 62 8.3k 0.7× 8.0k 0.6× 9.3k 0.8× 7.3k 0.7× 3.2k 0.4× 505 19.6k
Clare F. Macrae United Kingdom 8 6.4k 0.5× 9.5k 0.8× 9.9k 0.9× 6.3k 0.6× 4.3k 0.6× 8 21.2k
Michael B. Hursthouse United Kingdom 81 4.6k 0.4× 23.7k 1.9× 15.1k 1.3× 9.8k 1.0× 7.4k 1.0× 1.5k 38.5k

Countries citing papers authored by Mark A. Spackman

Since Specialization
Citations

This map shows the geographic impact of Mark A. Spackman'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 Mark A. Spackman with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Mark A. Spackman more than expected).

Fields of papers citing papers by Mark A. Spackman

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Mark A. Spackman. 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 Mark A. Spackman. The network helps show where Mark A. Spackman may publish in the future.

Co-authorship network of co-authors of Mark A. Spackman

This figure shows the co-authorship network connecting the top 25 collaborators of Mark A. Spackman. A scholar is included among the top collaborators of Mark A. Spackman based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Mark A. Spackman. Mark A. Spackman is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
Rahman, Atiqur, et al.. (2025). Prediction and Validation of Mechanical Flexibility in Molecular Crystals: Dispersion Interactions Dictate Bending. Angewandte Chemie. 137(19). 1 indexed citations
2.
Thomas, Sajesh P., Anna Worthy, Espen Z. Eikeland, et al.. (2023). Coordination Sphere Flexibility Leads to Elastic Deformation in a One-Dimensional Coordination Polymer Crystal. Chemistry of Materials. 35(6). 2495–2502. 18 indexed citations
3.
Spackman, Peter R., Durga Prasad Karothu, Pancě Naumov, et al.. (2022). Graphical Abstract: Angew. Chem. Int. Ed. 6/2022. Angewandte Chemie International Edition. 61(6).
4.
Shi, M., Sajesh P. Thomas, Venkatesha R. Hathwar, et al.. (2019). 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. 141(9). 3965–3976. 40 indexed citations
5.
Thomas, Sajesh P., Arnaud Grosjean, Gavin R. Flematti, et al.. (2019). Investigation of an Unusual Crystal Habit of Hydrochlorothiazide Reveals Large Polar Enantiopure Domains and a Possible Crystal Nucleation Mechanism. Angewandte Chemie. 131(30). 10361–10365. 5 indexed citations
6.
Thomas, Sajesh P., Arnaud Grosjean, Gavin R. Flematti, et al.. (2019). Investigation of an Unusual Crystal Habit of Hydrochlorothiazide Reveals Large Polar Enantiopure Domains and a Possible Crystal Nucleation Mechanism. Angewandte Chemie International Edition. 58(30). 10255–10259. 11 indexed citations
7.
Spackman, Peter R., Li‐Juan Yu, Craig J. Morton, et al.. (2019). Bridging Crystal Engineering and Drug Discovery by Utilizing Intermolecular Interactions and Molecular Shapes in Crystals. Angewandte Chemie International Edition. 58(47). 16780–16784. 34 indexed citations
8.
Gibbs, G. V., Nancy L. Ross, David F. Cox, et al.. (2013). Bonded Radii and the Contraction of the Electron Density of the Oxygen Atom by Bonded Interactions. The Journal of Physical Chemistry A. 117(7). 1632–1640. 39 indexed citations
9.
Jiang, Bin, Jian‐Min Zuo, David Holec, et al.. (2010). Combined structure-factor phase measurement and theoretical calculations for mapping of chemical bonds in GaN. Acta Crystallographica Section A Foundations of Crystallography. 66(4). 446–450. 4 indexed citations
10.
McIldowie, Matthew J., Michael Gandy, Brian W. Skelton, et al.. (2009). Physical and crystallographic characterisation of the mGlu5 antagonist MTEP and its monohydrochloride. Journal of Pharmaceutical Sciences. 99(1). 234–245. 3 indexed citations
11.
Poulsen, R.D., et al.. (2009). Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains. Journal of the American Chemical Society. 131(22). 7580–7591. 24 indexed citations
12.
Spackman, Mark A. & Dylan Jayatilaka. (2008). Hirshfeld surface analysis. CrystEngComm. 11(1). 19–32. 6276 indexed citations breakdown →
13.
Whitten, Andrew E. & Mark A. Spackman. (2006). Anisotropic displacement parameters for H atoms using an ONIOM approach. Acta Crystallographica Section B Structural Science. 62(5). 875–888. 68 indexed citations
14.
Gibbs, G. V., Andrew E. Whitten, Mark A. Spackman, et al.. (2003). An Exploration of Theoretical and Experimental Electron Density Distributions and SiO Bonded Interactions for the Silica Polymorph Coesite. The Journal of Physical Chemistry B. 107(47). 12996–13006. 33 indexed citations
15.
Spackman, Mark A. & P. G. Byrom. (1997). A novel definition of a molecule in a crystal. Chemical Physics Letters. 267(3-4). 215–220. 1088 indexed citations breakdown →
16.
Spackman, Mark A., et al.. (1995). Vibrational averaging of electrical properties. Molecular Physics. 84(6). 1239–1255. 75 indexed citations
17.
Gibbs, G. V., Mark A. Spackman, & M. B. Boisen. (1992). Bonded and promolecule radii for molecules and crystals. American Mineralogist. 77. 741–750. 31 indexed citations
18.
Brown, Andrew S. & Mark A. Spackman. (1991). A model study of the κ-refinement procedure for fitting valence electron densities. Acta Crystallographica Section A Foundations of Crystallography. 47(1). 21–29. 7 indexed citations
19.
Spackman, Mark A., et al.. (1988). Harmonic intermolecular vibrational frequencies for hydrogen-bonded dimers using a simple model. Chemical Physics Letters. 151(6). 547–552. 5 indexed citations
20.
Chandler, G. S. & Mark A. Spackman. (1982). Pseudoatom expansions of the first-row diatomic hydride electron densities. Acta Crystallographica Section A. 38(2). 225–239. 17 indexed citations

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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