{"_id":"goaRCmhHnXEZ5r6h2","bibbaseid":"mckinnon-mitchell-spackman-hirshfeldsurfacesanewtoolforvisualisingandexploringmolecularcrystals-1998","author_short":["McKinnon, J. J.","Mitchell, A. S.","Spackman, M. A."],"bibdata":{"bibtype":"article","type":"article","author":[{"propositions":[],"lastnames":["McKinnon"],"firstnames":["Joshua","J."],"suffixes":[]},{"propositions":[],"lastnames":["Mitchell"],"firstnames":["Anthony","S."],"suffixes":[]},{"propositions":[],"lastnames":["Spackman"],"firstnames":["Mark","A."],"suffixes":[]}],"title":"Hirshfeld surfaces: A new tool for visualising and exploring molecular crystals","journal":"Chemistry – A European Journal","volume":"4","number":"11","year":"1998","pages":"2136–2141","keywords":"Crystal engineering, Crystal packing, Graphics, Molecular surfaces, Solid-state structures","doi":"10.1002/(SICI)1521-3765(19981102)4:11<2136::AID-CHEM2136>3.0.CO;2-G","url":"https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/%28SICI%291521-3765%2819981102%294%3A11%3C2136%3A%3AAID-CHEM2136%3E3.0.CO%3B2-G","eprint":"https://chemistry-europe.onlinelibrary.wiley.com/doi/pdf/10.1002/%28SICI%291521-3765%2819981102%294%3A11%3C2136%3A%3AAID-CHEM2136%3E3.0.CO%3B2-G","abstract":"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.","bibtex":"@article{McKinnon_Mitchell_Spackman_1998,\nauthor = {McKinnon, Joshua J. and Mitchell, Anthony S. and Spackman, Mark A.},\ntitle = {Hirshfeld surfaces: A new tool for visualising and exploring molecular crystals},\njournal = {Chemistry -- A European Journal},\nvolume = {4},\nnumber = {11},\nyear = {1998},\npages = {2136--2141},\nkeywords = {Crystal engineering, Crystal packing, Graphics, Molecular surfaces, Solid-state structures},\ndoi = {10.1002/(SICI)1521-3765(19981102)4:11<2136::AID-CHEM2136>3.0.CO;2-G},\nurl = {https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/%28SICI%291521-3765%2819981102%294%3A11%3C2136%3A%3AAID-CHEM2136%3E3.0.CO%3B2-G},\neprint = {https://chemistry-europe.onlinelibrary.wiley.com/doi/pdf/10.1002/%28SICI%291521-3765%2819981102%294%3A11%3C2136%3A%3AAID-CHEM2136%3E3.0.CO%3B2-G},\nabstract = {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.}\n}\n\n","author_short":["McKinnon, J. J.","Mitchell, A. S.","Spackman, M. A."],"key":"McKinnon_Mitchell_Spackman_1998","id":"McKinnon_Mitchell_Spackman_1998","bibbaseid":"mckinnon-mitchell-spackman-hirshfeldsurfacesanewtoolforvisualisingandexploringmolecularcrystals-1998","role":"author","urls":{"Paper":"https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/%28SICI%291521-3765%2819981102%294%3A11%3C2136%3A%3AAID-CHEM2136%3E3.0.CO%3B2-G"},"keyword":["Crystal engineering","Crystal packing","Graphics","Molecular surfaces","Solid-state structures"],"metadata":{"authorlinks":{}},"html":""},"bibtype":"article","biburl":"https://bibbase.org/f/AQYdBXGW6LxCH3AtD/bibliography.bib","dataSources":["8jxpaeoN8uW94MtkC"],"keywords":["crystal engineering","crystal packing","graphics","molecular surfaces","solid-state structures"],"search_terms":["hirshfeld","surfaces","new","tool","visualising","exploring","molecular","crystals","mckinnon","mitchell","spackman"],"title":"Hirshfeld surfaces: A new tool for visualising and exploring molecular crystals","year":1998}