articleTop 1% cited
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces
Chemical Communications · 2007 · pp. 3814–3814
Joshua J. McKinnon✉(University of Western Australia)Dylan Jayatilaka(University of Western Australia)Mark A. Spackman(University of Western Australia)
Abstract
Enhancements to the properties based on Hirshfeld surfaces enable quantitative comparisons between contributions to crystal packing from various types of intermolecular contacts.
Crystallography and molecular interactionsCrystallization and Solubility StudiesChemical Thermodynamics and Molecular StructureIntermolecular forceChemistryComputational chemistryChemical physicsNanotechnologyMaterials scienceMoleculeOrganic chemistry
MeSH terms
AcetaminophenComputer SimulationCrystallizationHeterocyclic CompoundsHydrogen BondingModels, ChemicalModels, MolecularQuantum TheorySurface PropertiesOxalic AcidHydrophobic and Hydrophilic Interactions
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References
Comparison of Polymorphic Molecular Crystal Structures through Hirshfeld Surface Analysis
Crystal Growth & Design · 2007 · 346 citations
van der Waals Volumes and Radii
The Journal of Physical Chemistry · 1964 · 19,102 citations
A novel definition of a molecule in a crystal
Chemical Physics Letters · 1997 · 1,227 citations
Hirshfeld Surfaces: A New Tool for Visualising and Exploring Molecular Crystals
Chemistry - A European Journal · 1998 · 875 citations
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