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Materials Science

D-Index
59
Citations
37260
World Ranking
7216
National Ranking
223

Chemistry

D-Index
61
Citations
37693
World Ranking
9091
National Ranking
215

Research.com Recognitions

  • 2013 - Gregori Aminoff Prize, Royal Swedish Academy of Sciences for developing experimental and theoretical methods to study electron density in crystals, and using them to determine molecular and crystalline properties

Overview

Mark A. Spackman is affiliated with the University of Western Australia in Australia and has contributed extensively to materials science, with a primary focus on materials chemistry. Their research encompasses several interconnected subfields, including physical and theoretical chemistry, atomic and molecular physics and optics, inorganic chemistry, and polymers and plastics.

Their recent publications reflect an emphasis on crystallography and the mechanical properties of molecular crystals. Notable papers include CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals (2021, Journal of Applied Crystallography); Global Analysis of the Mechanical Properties of Organic Crystals (2021, Angewandte Chemie International Edition); Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors (2021, Angewandte Chemie International Edition); another version of Global Analysis of the Mechanical Properties of Organic Crystals (2021, Angewandte Chemie); and Coordination Sphere Flexibility Leads to Elastic Deformation in a One-Dimensional Coordination Polymer Crystal (2023, Chemistry of Materials).

The primary research topics covered by Mark A. Spackman include:

  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Crystallography and molecular interactions
  • Advanced Chemical Physics Studies
  • Inorganic Fluorides and Related Compounds
  • High-pressure geophysics and materials
  • Force Microscopy Techniques and Applications

Frequent co-authors collaborating with Spackman have been:

  • Bo B. Iversen
  • Espen Z. Eikeland
  • Arnaud Grosjean
  • Sajesh P. Thomas
  • Kasper Tolborg

His scientific output is often published in several key venues including:

  • The Cambridge Structural Database
  • Angewandte Chemie International Edition
  • Angewandte Chemie
  • Crystal Growth & Design
  • Acta Crystallographica Section A Foundations and Advances

The work of Mark A. Spackman has been recognized with awards such as the Gregori Aminoff Prize from the Royal Swedish Academy of Sciences in 2013, awarded for developing theoretical and experimental methods to study electron density in crystals and for applying these methods to determine molecular and crystalline properties.

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

  • Fingerprinting intermolecular interactions in molecular crystals

    Mark A. Spackman;Joshua J. McKinnon

  • Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces.

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

  • Novel tools for visualizing and exploring intermolecular interactions in molecular crystals.

    Joshua J. McKinnon;Mark A. Spackman;Anthony S. Mitchell

  • A novel definition of a molecule in a crystal

    Mark A. Spackman;Patrick G. Byrom

  • 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

  • Hirshfeld Surfaces: A New Tool for Visualising and Exploring Molecular Crystals

    Joshua J. McKinnon;Anthony S. Mitchell;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

  • Three new co-crystals of hydroquinone: crystal structures and Hirshfeld surface analysis of intermolecular interactions

    Henrik F. Clausen;Marie S. Chevallier;Mark A. Spackman;Bo B. Iversen

  • Comparison of Polymorphic Molecular Crystal Structures through Hirshfeld Surface Analysis

    Joshua J. Mckinnon;Francesca P. A. Fabbiani;Mark A. Spackman

  • A SIMPLE QUANTITATIVE MODEL OF HYDROGEN-BONDING

    Mark A. Spackman

  • Accurate prediction of static dipole polarizabilities with moderately sized basis sets

    Mark A. Spackman

  • Atom−atom potentials via electron gas theory

    Mark A. Spackman

  • Molecular electric moments from x-ray diffraction data

    M. A. Spackman

  • Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures

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

  • Solvent inclusion in the structural voids of form II carbamazepine: single-crystal X-ray diffraction, NMR spectroscopy and Hirshfeld surface analysis

    Francesca P. A. Fabbiani;Lindsay T. Byrne;Joshua J. McKinnon;Mark A. Spackman

Frequent Co-Authors

Dylan Jayatilaka
Dylan Jayatilaka University of Western Australia
Bo B. Iversen
Bo B. Iversen Aarhus University
Birger Dittrich
Birger Dittrich Heinrich Heine University Düsseldorf
Jacob Overgaard
Jacob Overgaard Aarhus University
Gerald V. Gibbs
Gerald V. Gibbs Virginia Tech
Brian W. Skelton
Brian W. Skelton University of Western Australia
Yu-Sheng Chen
Yu-Sheng Chen Nankai University
Eiji Nishibori
Eiji Nishibori University of Tsukuba
Mogens Christensen
Mogens Christensen Aalborg University
Kevin M. Rosso
Kevin M. Rosso Pacific Northwest National Laboratory

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