article
Hirshfeld Surfaces: A New Tool for Visualising and Exploring Molecular Crystals
Chemistry - A European Journal · 1998 · Vol. 4(11) · pp. 2136–2141
Joshua J. McKinnon✉(University of New England)Anthony S. Mitchell(University of New England)Mark A. Spackman(University of New England)
Abstract
Striking new images of molecular crystals are afforded by isosurface rendering of smooth, nonoverlapping molecular surfaces arising from a novel partitioning of crystal space. Surface features characteristic of different types of intermolecular interactions are identified, for example for the edge-to-face C−H⋅⋅⋅π interaction in the packing diagram of benzene shown here.
Crystallography and molecular interactionsCrystallization and Solubility StudiesMolecular spectroscopy and chiralityIntermolecular forceIsosurfaceCrystallographyBenzeneCrystal (programming language)Surface (topology)Rendering (computer graphics)DiagramMolecular graphicsMaterials science
Citations
875
FWCI
1.25
field-weighted impact
References
0
Percentile
81%
vs. same field & year
Citations per year
Cited by
Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone
Crystal Growth & Design · 2008 · 580 citations
Comparison of Polymorphic Molecular Crystal Structures through Hirshfeld Surface Analysis
Crystal Growth & Design · 2007 · 346 citations
Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: Crystal Structures, Hirshfeld Surface Analysis, and DFT Calculations [H<sub>2</sub>IDA = iminodiacetic acid, M = Cu(II), Ni(II)]
Crystal Growth & Design · 2011 · 336 citations
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces
Chemical Communications · 2007 · 3,387 citations
<i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
Journal of Applied Crystallography · 2021 · 4,342 citations
Citation Network
How this paper connects to the literature. Drag to explore, click any node to open that paper.