{"id":"https://openalex.org/W2012230622","doi":"https://doi.org/10.1107/s0108767305082097","title":"Rapid charge density data collection","display_name":"Rapid charge density data collection","publication_year":2005,"publication_date":"2005-08-23","ids":{"openalex":"https://openalex.org/W2012230622","doi":"https://doi.org/10.1107/s0108767305082097","mag":"2012230622"},"language":"en","primary_location":{"id":"doi:10.1107/s0108767305082097","doi":"https://doi.org/10.1107/s0108767305082097","is_oa":true,"landing_page_url":"https://doi.org/10.1107/s0108767305082097","pdf_url":"https://journals.iucr.org/a/issues/2005/a1/00/a33689/a33689.pdf","source":{"id":"https://openalex.org/S150871906","display_name":"Acta Crystallographica Section A Foundations of Crystallography","issn_l":"0108-7673","issn":["0108-7673","1600-5724"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta Crystallographica Section A Foundations of Crystallography","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://journals.iucr.org/a/issues/2005/a1/00/a33689/a33689.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5103818128","display_name":"Damon A. Parrish","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I1288214837","display_name":"United States Naval Research Laboratory","ror":"https://ror.org/04d23a975","country_code":"US","type":"facility","lineage":["https://openalex.org/I1288214837","https://openalex.org/I1330347796","https://openalex.org/I175003984","https://openalex.org/I3130687028"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"D. A. Parrish","raw_affiliation_strings":["Laboratory for the Structure of Matter, Naval Research Laboratory, Washington, DC 2037"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory for the Structure of Matter, Naval Research Laboratory, Washington, DC 2037","institution_ids":["https://openalex.org/I1288214837"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030863493","display_name":"Jeffrey R. Deschamps","orcid":"https://orcid.org/0000-0001-5845-0010","observed_orcids":["https://orcid.org/0000-0001-5845-0010"]},"institutions":[{"id":"https://openalex.org/I1288214837","display_name":"United States Naval Research Laboratory","ror":"https://ror.org/04d23a975","country_code":"US","type":"facility","lineage":["https://openalex.org/I1288214837","https://openalex.org/I1330347796","https://openalex.org/I175003984","https://openalex.org/I3130687028"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"J. R. Deschamps","raw_affiliation_strings":["Laboratory for the Structure of Matter, Naval Research Laboratory, Washington, DC 2037"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory for the Structure of Matter, Naval Research Laboratory, Washington, DC 2037","institution_ids":["https://openalex.org/I1288214837"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063805068","display_name":"A. Coop","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I126744593","display_name":"University of Maryland, Baltimore","ror":"https://ror.org/04rq5mt64","country_code":"US","type":"education","lineage":["https://openalex.org/I126744593"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"A. Coop","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy, Baltimore, MD 21201"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy, Baltimore, MD 21201","institution_ids":["https://openalex.org/I126744593"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022027521","display_name":"Linn N. Thatcher","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I126744593","display_name":"University of Maryland, Baltimore","ror":"https://ror.org/04rq5mt64","country_code":"US","type":"education","lineage":["https://openalex.org/I126744593"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"L. N. Thatcher","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy, Baltimore, MD 21201"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy, Baltimore, MD 21201","institution_ids":["https://openalex.org/I126744593"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113731302","display_name":"Huifang Wu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I126744593","display_name":"University of Maryland, Baltimore","ror":"https://ror.org/04rq5mt64","country_code":"US","type":"education","lineage":["https://openalex.org/I126744593"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"H. Wu","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy, Baltimore, MD 21201"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy, Baltimore, MD 21201","institution_ids":["https://openalex.org/I126744593"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000231428","display_name":"Joseph D. Ferrara","orcid":"https://orcid.org/0000-0001-8534-642X","observed_orcids":["https://orcid.org/0000-0001-8534-642X","https://orcid.org/0000-0001-9167-5246"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"J. Ferrara","raw_affiliation_strings":["Rigaku / MSC, Inc., 9009 New Trails Dr., The Woodlands, Texas 77381-5209"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rigaku / MSC, Inc., 9009 New Trails Dr., The Woodlands, Texas 77381-5209","institution_ids":[]}]},{"author_position":"last","author":{"id":null,"display_name":"L. Daniels","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"L. Daniels","raw_affiliation_strings":["Rigaku / MSC, Inc., 9009 New Trails Dr., The Woodlands, Texas 77381-5209"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Rigaku / MSC, Inc., 9009 New Trails Dr., The Woodlands, Texas 77381-5209","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5103818128"],"corresponding_institution_ids":["https://openalex.org/I1288214837"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.14521622,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"61","issue":"a1","first_page":"c425","last_page":"c425"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10464","display_name":"Crystal structures of chemical compounds","score":0.5112000107765198,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10464","display_name":"Crystal structures of chemical compounds","score":0.5112000107765198,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.45190000534057617,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10806","display_name":"Energetic Materials and Combustion","score":0.004100000020116568,"subfield":{"id":"https://openalex.org/subfields/2211","display_name":"Mechanics of Materials"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/nitramines","display_name":"nitramines","score":0.7940000295639038},{"id":"https://openalex.org/keywords/charge-density-analysis","display_name":"charge density analysis","score":0.6480000019073486},{"id":"https://openalex.org/keywords/bond-critical-points","display_name":"bond critical points","score":0.7760000228881836},{"id":"https://openalex.org/keywords/topological-analysis-of-electron-density","display_name":"electron density topology","score":0.7059999704360962},{"id":"https://openalex.org/keywords/crystal-packing","display_name":"crystal packing","score":0.8809999823570251},{"id":"https://openalex.org/keywords/molecular-geometry","display_name":"molecular geometry","score":0.8040000200271606},{"id":"https://openalex.org/keywords/structure-determination","display_name":"structure determination","score":0.7699999809265137}],"concepts":[{"id":"https://openalex.org/C150708132","wikidata":"https://www.wikidata.org/wiki/Q744771","display_name":"Charge density","level":2,"score":0.6430066823959351},{"id":"https://openalex.org/C188082385","wikidata":"https://www.wikidata.org/wiki/Q73792","display_name":"Charge (physics)","level":2,"score":0.5987377166748047},{"id":"https://openalex.org/C2781285689","wikidata":"https://www.wikidata.org/wiki/Q21921428","display_name":"Crystal (programming language)","level":2,"score":0.5041407346725464},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4976661503314972},{"id":"https://openalex.org/C184720557","wikidata":"https://www.wikidata.org/wiki/Q7825049","display_name":"Topology (electrical circuits)","level":2,"score":0.4946245849132538},{"id":"https://openalex.org/C77223115","wikidata":"https://www.wikidata.org/wiki/Q634781","display_name":"Topological quantum number","level":2,"score":0.4677926003932953},{"id":"https://openalex.org/C193547582","wikidata":"https://www.wikidata.org/wiki/Q911331","display_name":"Molecular geometry","level":3,"score":0.4546809494495392},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.436042457818985},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.42401015758514404},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.3879667818546295},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.36903080344200134},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.25288712978363037},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2405581772327423},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2119593620300293},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.1564209759235382},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1281965970993042},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.11494684219360352},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.10341721773147583},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.08491528034210205},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1107/s0108767305082097","doi":"https://doi.org/10.1107/s0108767305082097","is_oa":true,"landing_page_url":"https://doi.org/10.1107/s0108767305082097","pdf_url":"https://journals.iucr.org/a/issues/2005/a1/00/a33689/a33689.pdf","source":{"id":"https://openalex.org/S150871906","display_name":"Acta Crystallographica Section A Foundations of Crystallography","issn_l":"0108-7673","issn":["0108-7673","1600-5724"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta Crystallographica Section A Foundations of Crystallography","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.1107/s0108767305082097","doi":"https://doi.org/10.1107/s0108767305082097","is_oa":true,"landing_page_url":"https://doi.org/10.1107/s0108767305082097","pdf_url":"https://journals.iucr.org/a/issues/2005/a1/00/a33689/a33689.pdf","source":{"id":"https://openalex.org/S150871906","display_name":"Acta Crystallographica Section A Foundations of Crystallography","issn_l":"0108-7673","issn":["0108-7673","1600-5724"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta Crystallographica Section A Foundations of Crystallography","raw_type":"journal-article"},"sustainable_development_goals":[],"sustainable_development_goals_aurora":[{"id":"https://metadata.un.org/sdg/13","display_name":"Climate action","score":0.49000000953674316}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2012230622.pdf","grobid_xml":"https://content.openalex.org/works/W2012230622.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W1992825614","https://openalex.org/W2027226780","https://openalex.org/W2148393407","https://openalex.org/W2606295565","https://openalex.org/W2065439344","https://openalex.org/W2317583502","https://openalex.org/W2526951872","https://openalex.org/W1967856510","https://openalex.org/W1981362306","https://openalex.org/W32688413"],"abstract_inverted_index":{"chemical":[0],"properties":[1,26,40],"of":[2,12,21,41],"the":[3,6,29],"nitramine":[4],"[2].In":[5],"communication":[7],"will":[8,44],"be":[9,46],"shown":[10],"results":[11],"structure":[13],"determination":[14],"together":[15,23],"with":[16,24,28],"a":[17],"charge":[18],"density":[19],"analysis":[20],"N-phenyl-Nmethylnitramine":[22],"1-nitroindoline.Topological":[25],"associated":[27],"bond":[30],"critical":[31],"points":[32],"(BCP),":[33],"molecular":[34],"geometry,":[35],"crystal":[36],"packing":[37],"and":[38],"topological":[39],"those":[42],"compounds":[43],"also":[45],"presented.":[47]},"counts_by_year":[],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2016-06-24T00:00:00"}