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CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

Journal of applied crystallography, 2021-06, Vol.54 (3), p.1006-1011

2021

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Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures

Journal of chemical theory and computation, 2018-03, Vol.14 (3), p.1614-1623

2018

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CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

IUCrJ, 2017-09, Vol.4 (Pt 5), p.575-587

2017

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Intermolecular interactions in molecular crystals: what's in a name?

Faraday discussions, 2017, Vol.23, p.93-112

2017

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Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals

The journal of physical chemistry letters, 2014-12, Vol.5 (24), p.4249-4255

2014

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Molecules in crystals

Physica scripta, 2013-04, Vol.87 (4), p.48103-12

Spackman, Mark A

2013

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Molecular dynamics simulations of structure and dynamics of organic molecular crystals

Physical chemistry chemical physics : PCCP, 2010-01, Vol.12 (45), p.14916-14929

2010

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Global Analysis of the Mechanical Properties of Organic Crystals

Angewandte Chemie, 2022-03, Vol.134 (10), p.n/a

2022

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Multi-temperature Synchrotron Powder X-ray Diffraction Study and Hirshfeld Surface Analysis of Chemical Bonding in the Thermoelectric Zintl Phase Yb14MnSb11

Chemistry of materials, 2011-08, Vol.23 (16), p.3723-3730

2011

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Synthesis, Crystal Structure, Atomic Hirshfeld Surfaces, and Physical Properties of Hexagonal CeMnNi4

Inorganic chemistry, 2010-10, Vol.49 (20), p.9343-9349

2010

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Structural Collapse of the Hydroquinone-Formic Acid Clathrate: A Pressure-Medium-Dependent Phase Transition

Chemistry : a European journal, 2016-03, Vol.22 (12), p.4061-4069

2016

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Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (46), p.31811-31820

2016

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Robert Farrell Stewart (1936-2015)

Acta crystallographica. Section A, Foundations and advances, 2016-07, Vol.72 (4), p.507-509

Spackman, Mark A.

2016

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Solution-phase decomposition of ferrocene into wüstite-iron oxide core-shell nanoparticles

Dalton transactions : an international journal of inorganic chemistry, 2022-01, Vol.51 (4), p.1603-1611

2022

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Controlling the Confinement and Alignment of Fullerene C70 in para-Substituted Calix[5]arenes

Chemistry : a European journal, 2007-05, Vol.13 (14), p.3907-3912

2007

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Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent?

Chemistry : a European journal, 2019-05, Vol.25 (26), p.6459-6459

2019

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Charge density analysis of two polymorphs of antimony(III) oxide

Dalton transactions : an international journal of inorganic chemistry, 2004-01 (1), p.23-29

2004

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Bonded Radii and the Contraction of the Electron Density of the Oxygen Atom by Bonded Interactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-02, Vol.117 (7), p.1632-1640

2013

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Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors

Angewandte Chemie, 2022-02, Vol.134 (6), p.n/a

2022

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Computational study of methyl group dynamics in the hydroquinone clathrate of acetonitrile

Physical chemistry chemical physics : PCCP, 2012-02, Vol.14 (5), p.157-1572

2012

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Dipole Moment Enhancement in Molecular Crystals from X-ray Diffraction Data

Chemphyschem, 2007-10, Vol.8 (14), p.2051-2063

2007

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Effective molecular polarizabilities and crystal refractive indices estimated from x-ray diffraction data

The Journal of chemical physics, 2006-11, Vol.125 (17), p.174505-174505-14

2006

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Magnetically recoverable Fe 3 O 4 @Au-coated nanoscale catalysts for the A 3 -coupling reaction

Dalton transactions : an international journal of inorganic chemistry, 2017-04, Vol.46 (16), p.5133-5137

2017

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Molecules in crystals

Acta crystallographica. Section A, Foundations and advances, 2023-08, Vol.79 (a2), p.C619-C619

Spackman, Mark A.

2023

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Approaching an experimental electron density model of the biologically active trans‐epoxysuccinyl amide group—Substituent effects vs. crystal packing

Journal of physical organic chemistry, 2017-11, Vol.30 (11), p.n/a

2017

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CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures

CrystalExplorer model energies and energy frameworks: extension to metal coordination compounds, organic salts, solvates and open-shell systems

Intermolecular interactions in molecular crystals: what's in a name?

Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals

Molecules in crystals

Molecular dynamics simulations of structure and dynamics of organic molecular crystals

Global Analysis of the Mechanical Properties of Organic Crystals

Multi-temperature Synchrotron Powder X-ray Diffraction Study and Hirshfeld Surface Analysis of Chemical Bonding in the Thermoelectric Zintl Phase Yb14MnSb11

Synthesis, Crystal Structure, Atomic Hirshfeld Surfaces, and Physical Properties of Hexagonal CeMnNi4

Structural Collapse of the Hydroquinone-Formic Acid Clathrate: A Pressure-Medium-Dependent Phase Transition

Energy frameworks and a topological analysis of the supramolecular features in in situ cryocrystallized liquids: tuning the weak interaction landscape via fluorination

Robert Farrell Stewart (1936-2015)

Solution-phase decomposition of ferrocene into wüstite-iron oxide core-shell nanoparticles

Controlling the Confinement and Alignment of Fullerene C70 in para-Substituted Calix[5]arenes

Revisiting a Historical Concept by Using Quantum Crystallography: Are Phosphate, Sulfate and Perchlorate Anions Hypervalent?

Charge density analysis of two polymorphs of antimony(III) oxide

Bonded Radii and the Contraction of the Electron Density of the Oxygen Atom by Bonded Interactions

Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors

Computational study of methyl group dynamics in the hydroquinone clathrate of acetonitrile

Dipole Moment Enhancement in Molecular Crystals from X-ray Diffraction Data

Effective molecular polarizabilities and crystal refractive indices estimated from x-ray diffraction data

Magnetically recoverable Fe 3 O 4 @Au-coated nanoscale catalysts for the A 3 -coupling reaction

Molecules in crystals

Approaching an experimental electron density model of the biologically active trans‐epoxysuccinyl amide group—Substituent effects vs. crystal packing

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