{"id":"https://openalex.org/W2013159595","doi":"https://doi.org/10.1007/s00894-013-2033-3","title":"A study of the solvent effect on the morphology of RDX crystal by molecular modeling method","display_name":"A study of the solvent effect on the morphology of RDX crystal by molecular modeling method","publication_year":2013,"publication_date":"2013-11-05","ids":{"openalex":"https://openalex.org/W2013159595","doi":"https://doi.org/10.1007/s00894-013-2033-3","mag":"2013159595","pmid":"https://pubmed.ncbi.nlm.nih.gov/24193214"},"language":"en","primary_location":{"id":"doi:10.1007/s00894-013-2033-3","doi":"https://doi.org/10.1007/s00894-013-2033-3","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00894-013-2033-3","pdf_url":null,"source":{"id":"https://openalex.org/S113170167","display_name":"Journal of Molecular Modeling","issn_l":"0948-5023","issn":["0948-5023","1610-2940"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","medline","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Modeling","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100716504","display_name":"Gang Chen","orcid":"https://orcid.org/0000-0002-1126-2087","observed_orcids":["https://orcid.org/0000-0002-1126-2087"]},"institutions":[{"id":"https://openalex.org/I36399199","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62","country_code":"CN","type":"education","lineage":["https://openalex.org/I36399199"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Gang Chen","raw_affiliation_strings":["Chemistry Department, Nanjing University of Science and Technology, Nanjing, 210094, China","Nanjing University of Science and Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Nanjing University of Science and Technology, Nanjing, 210094, China","institution_ids":["https://openalex.org/I36399199"]},{"raw_affiliation_string":"Nanjing University of Science and Technology","institution_ids":["https://openalex.org/I36399199"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073776212","display_name":"Mingzhu Xia","orcid":"https://orcid.org/0000-0001-7533-6535","observed_orcids":["https://orcid.org/0000-0001-7533-6535"]},"institutions":[{"id":"https://openalex.org/I36399199","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62","country_code":"CN","type":"education","lineage":["https://openalex.org/I36399199"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Mingzhu Xia","raw_affiliation_strings":["Chemistry Department, Nanjing University of Science and Technology, Nanjing, 210094, China","Nanjing University of Science and Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Nanjing University of Science and Technology, Nanjing, 210094, China","institution_ids":["https://openalex.org/I36399199"]},{"raw_affiliation_string":"Nanjing University of Science and Technology","institution_ids":["https://openalex.org/I36399199"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100394369","display_name":"Lei Wu","orcid":"https://orcid.org/0000-0002-7658-3121","observed_orcids":["https://orcid.org/0000-0002-7658-3121","https://orcid.org/0000-0003-2242-7067"]},"institutions":[{"id":"https://openalex.org/I36399199","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62","country_code":"CN","type":"education","lineage":["https://openalex.org/I36399199"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wu Lei","raw_affiliation_strings":["Chemistry Department, Nanjing University of Science and Technology, Nanjing, 210094, China","Nanjing University of Science and Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Nanjing University of Science and Technology, Nanjing, 210094, China","institution_ids":["https://openalex.org/I36399199"]},{"raw_affiliation_string":"Nanjing University of Science and Technology","institution_ids":["https://openalex.org/I36399199"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100399630","display_name":"Fengyun Wang","orcid":"https://orcid.org/0000-0002-2359-9875","observed_orcids":["https://orcid.org/0000-0002-2359-9875"]},"institutions":[{"id":"https://openalex.org/I36399199","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62","country_code":"CN","type":"education","lineage":["https://openalex.org/I36399199"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Fengyun Wang","raw_affiliation_strings":["Chemistry Department, Nanjing University of Science and Technology, Nanjing, 210094, China","Nanjing University of Science and Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Nanjing University of Science and Technology, Nanjing, 210094, China","institution_ids":["https://openalex.org/I36399199"]},{"raw_affiliation_string":"Nanjing University of Science and Technology","institution_ids":["https://openalex.org/I36399199"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5109986133","display_name":"Xuedong Gong","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I36399199","display_name":"Nanjing University of Science and Technology","ror":"https://ror.org/00xp9wg62","country_code":"CN","type":"education","lineage":["https://openalex.org/I36399199"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xuedong Gong","raw_affiliation_strings":["Chemistry Department, Nanjing University of Science and Technology, Nanjing, 210094, China","Nanjing University of Science and Technology"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Nanjing University of Science and Technology, Nanjing, 210094, China","institution_ids":["https://openalex.org/I36399199"]},{"raw_affiliation_string":"Nanjing University of Science and Technology","institution_ids":["https://openalex.org/I36399199"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5073776212"],"corresponding_institution_ids":["https://openalex.org/I36399199"],"apc_list":{"value":4290,"currency":"USD","value_usd":4290},"apc_paid":null,"fwci":2.1086,"has_fulltext":true,"cited_by_count":56,"citation_normalized_percentile":{"value":0.86820041,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":99},"biblio":{"volume":"19","issue":"12","first_page":"5397","last_page":"5406"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.9740999937057495,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11881","display_name":"Crystallization and Solubility Studies","score":0.9740999937057495,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10806","display_name":"Energetic Materials and Combustion","score":0.014600000344216824,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.0071000000461936,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/rdx","display_name":"RDX","score":0.9269999861717224},{"id":"https://openalex.org/keywords/crystal-morphology","display_name":"crystal morphology","score":0.9430000185966492},{"id":"https://openalex.org/keywords/acetone","display_name":"acetone","score":0.7770000100135803},{"id":"https://openalex.org/keywords/crystal-growth","display_name":"crystal growth","score":0.5400000214576721},{"id":"https://openalex.org/keywords/crystal-facets","display_name":"crystal facets","score":0.5929999947547913},{"id":"https://openalex.org/keywords/surface-polarity","display_name":"surface polarity","score":0.703000009059906},{"id":"https://openalex.org/keywords/solute-solvent-interactions","display_name":"solute-solvent interactions","score":0.5249999761581421},{"id":"https://openalex.org/keywords/binding-energy","display_name":"binding energy","score":0.8339999914169312},{"id":"https://openalex.org/keywords/crystallization","display_name":"crystallization","score":0.5350000262260437}],"concepts":[{"id":"https://openalex.org/C2781213060","wikidata":"https://www.wikidata.org/wiki/Q49546","display_name":"Acetone","level":2,"score":0.8023479580879211},{"id":"https://openalex.org/C2781285689","wikidata":"https://www.wikidata.org/wiki/Q21921428","display_name":"Crystal (programming language)","level":2,"score":0.7628186941146851},{"id":"https://openalex.org/C203036418","wikidata":"https://www.wikidata.org/wiki/Q284256","display_name":"Crystallization","level":2,"score":0.716428279876709},{"id":"https://openalex.org/C126061179","wikidata":"https://www.wikidata.org/wiki/Q189627","display_name":"van der Waals force","level":3,"score":0.6972768306732178},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.675747275352478},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.5412421226501465},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.5101797580718994},{"id":"https://openalex.org/C29705727","wikidata":"https://www.wikidata.org/wiki/Q294562","display_name":"Polar","level":2,"score":0.49280741810798645},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.49136295914649963},{"id":"https://openalex.org/C499950583","wikidata":"https://www.wikidata.org/wiki/Q183252","display_name":"Morphology (biology)","level":2,"score":0.47342756390571594},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.45531827211380005},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.452533096075058},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.43584901094436646},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4203760623931885},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4144354462623596},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.36429864168167114},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2697942852973938},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.19130361080169678},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.05804431438446045},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D000096","descriptor_name":"Acetone","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003460","descriptor_name":"Crystallization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013499","descriptor_name":"Surface Properties","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014227","descriptor_name":"Triazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1007/s00894-013-2033-3","doi":"https://doi.org/10.1007/s00894-013-2033-3","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00894-013-2033-3","pdf_url":null,"source":{"id":"https://openalex.org/S113170167","display_name":"Journal of Molecular Modeling","issn_l":"0948-5023","issn":["0948-5023","1610-2940"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","medline","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Modeling","raw_type":"journal-article"},{"id":"pmid:24193214","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/24193214","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of molecular modeling","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320324852","display_name":"Nanjing University","ror":"https://ror.org/01rxvg760"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":38,"referenced_works":["https://openalex.org/W1965146789","https://openalex.org/W1968768054","https://openalex.org/W1969506190","https://openalex.org/W1979012574","https://openalex.org/W1985661020","https://openalex.org/W1987105750","https://openalex.org/W1994210678","https://openalex.org/W1999381465","https://openalex.org/W1999471250","https://openalex.org/W2001526801","https://openalex.org/W2001676859","https://openalex.org/W2018408203","https://openalex.org/W2018999993","https://openalex.org/W2036566604","https://openalex.org/W2036610815","https://openalex.org/W2041915750","https://openalex.org/W2043304245","https://openalex.org/W2043344605","https://openalex.org/W2059088237","https://openalex.org/W2073883832","https://openalex.org/W2075648013","https://openalex.org/W2091654157","https://openalex.org/W2101773179","https://openalex.org/W2102751067","https://openalex.org/W2107135887","https://openalex.org/W2137681093","https://openalex.org/W2146462263","https://openalex.org/W2148624934","https://openalex.org/W2150527860","https://openalex.org/W2156005482","https://openalex.org/W2166367326","https://openalex.org/W2318136821","https://openalex.org/W2401109136","https://openalex.org/W2605019082","https://openalex.org/W2762897293","https://openalex.org/W2896654033","https://openalex.org/W2999221582","https://openalex.org/W4241793017"],"related_works":["https://openalex.org/W2073883832","https://openalex.org/W2973146067","https://openalex.org/W2285033937","https://openalex.org/W2166367326","https://openalex.org/W2318609618","https://openalex.org/W2042945824","https://openalex.org/W2036566604","https://openalex.org/W2887224268","https://openalex.org/W2266654798","https://openalex.org/W4399812383"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":7},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":8},{"year":2017,"cited_by_count":9},{"year":2016,"cited_by_count":6},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":6}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2016-06-24T00:00:00"}
