CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
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Summary
CrystalExplorer is a native cross-platform program for the visualization and investigation of molecular crystal structures and its successor, CrystalExplorer 2, is available for iOS and Android.
- Type
- article
- Published
- 2021-04-27
- Cited by
- 2,138
- References
- 19
- Access
- Open access
- OpenAlex
- https://openalex.org/W3159829212
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:235548183
Keywords
Visualization, Intermolecular force, Software, Computer science, Molecular graphics
References
- Analytical Hartree–Fock wave functions for the atoms Cs to Lr
- An intermolecular perturbation theory for the region of moderate overlap
- Comparison of Polymorphic Molecular Crystal Structures through Hirshfeld Surface Analysis
- Calculation of lattice energies of organic crystals: the PIXEL integration method in comparison with more traditional methods
- Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces.
- Hydrogen Bond Studies. 39. Reinvestigation of the Crystal Structure of Acetic Acid (at +5 degrees C and -190 degrees C).
- Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
- Molecules in crystals
- Five-fold diamond structure of adamantane-1,3,5,7-tetracarboxylic acid
- Energy decomposition analysis of covalent bonds and intermolecular interactions.
- Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals.
- Solid shape
- Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures.
- NWChem: Past, present, and future.
Cited by
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- Cocrystallization Enabling Photoinduced Rotation of an Azopyridine Crystal
- Combination of Negative, Positive, and Near-Zero Thermal Expansion in Bis(imidazolium) Terephthalate with a Helical Hydrogen-Bonded Network
- Hydrogen-Bonded and Halogen-Bonded: Orthogonal Interactions for the Chloride Anion of a Pyrazolium Salt
- New dinuclear zinc(ii) complexes with Schiff bases obtained from o-phenylenediamine and their application as fluorescent materials in spin coating deposition
- Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides
- Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
- A high-frequency EPR study of magnetic anisotropy and intermolecular interactions of Co(II) ions
- Guest-Mediated Hierarchical Self-Assembly of Dissymmetric Organic Cages to Form Supramolecular Ferroelectrics
- Li 3 La[PS 4 ] 2 : The First Lithium Lanthanum Ortho ‐Thiophosphate
- The Polymorphism of 2-Benzoyl-N,N-diethylbenzamide
- Structural Diversity of Hydrogen-Bonded 4-Aryl-3,5-Dimethylpyrazoles for Supramolecular Materials
- Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties.
- Synthesis and Structural Studies of Two New Anthracene Derivatives
- Joint experimental and computational studies of a cyanomethylcarbamoyl-bridged pyrene–dinitrobenzene molecular ensemble
- Synthesis, Crystal Structure, Density Functional Theory (DFT) Calculations and Molecular Orbital Calculations of 4-Bromoanilinium Perchlorate Single Crystal
- Heteroleptic complexes of Ni(II) with 2,2′-bipyridine and benzoato ligands. Magnetic properties of [Ni(bpy)(Bz)2]
- Selective Crystallization of Four Bis(phthalocyaninato)lanthanoid(III) Polymorphs
- π–π Noncovalent Interaction Involving 1,2,4- and 1,3,4-Oxadiazole Systems: The Combined Experimental, Theoretical, and Database Study
- Determination of protonation state in molecular salt of minoxidil and 2,4-dihydroxybenzoic acid through a combined experimental and theoretical study: influence of proton transfer on biological activities
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