{"id":"https://openalex.org/W4394610612","doi":"https://doi.org/10.3390/computation12040078","title":"The Study of Molecules and Processes in Solution: An Overview of Questions, Approaches and Applications","display_name":"The Study of Molecules and Processes in Solution: An Overview of Questions, Approaches and Applications","publication_year":2024,"publication_date":"2024-04-09","ids":{"openalex":"https://openalex.org/W4394610612","doi":"https://doi.org/10.3390/computation12040078"},"language":"en","primary_location":{"id":"doi:10.3390/computation12040078","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation12040078","pdf_url":"https://www.mdpi.com/2079-3197/12/4/78/pdf?version=1712648168","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2079-3197/12/4/78/pdf?version=1712648168","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5039980035","display_name":"Neani Tshilande","orcid":null},"institutions":[{"id":"https://openalex.org/I84929415","display_name":"University of Venda","ror":"https://ror.org/0338xea48","country_code":"ZA","type":"education","lineage":["https://openalex.org/I84929415"]}],"countries":["ZA"],"is_corresponding":true,"raw_author_name":"Neani Tshilande","raw_affiliation_strings":["Department of Chemistry, University of Venda, Thohoyandou 0950, South Africa","Department of Chemistry, University of Venda, Thohoyandou 0950, South Africa;"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Venda, Thohoyandou 0950, South Africa","institution_ids":["https://openalex.org/I84929415"]},{"raw_affiliation_string":"Department of Chemistry, University of Venda, Thohoyandou 0950, South Africa;","institution_ids":["https://openalex.org/I84929415"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059242905","display_name":"\u041b\u0438\u043b\u0438\u0430\u043d\u0430 \u041c\u0430\u043c\u043c\u0438\u043d\u043e","orcid":"https://orcid.org/0000-0002-3424-1975"},"institutions":[{"id":"https://openalex.org/I84929415","display_name":"University of Venda","ror":"https://ror.org/0338xea48","country_code":"ZA","type":"education","lineage":["https://openalex.org/I84929415"]}],"countries":["ZA"],"is_corresponding":false,"raw_author_name":"Liliana Mammino","raw_affiliation_strings":["Faculty of Science, Engineering and Agriculture, University of Venda, Thohoyandou 0950, South Africa"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Science, Engineering and Agriculture, University of Venda, Thohoyandou 0950, South Africa","institution_ids":["https://openalex.org/I84929415"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5001276756","display_name":"Mireille K. Bilonda","orcid":"https://orcid.org/0000-0001-7819-7219"},"institutions":[{"id":"https://openalex.org/I34942010","display_name":"University of Kinshasa","ror":"https://ror.org/05rrz2q74","country_code":"CD","type":"education","lineage":["https://openalex.org/I34942010"]}],"countries":["CD"],"is_corresponding":false,"raw_author_name":"Mireille K. Bilonda","raw_affiliation_strings":["Chemistry and Industry Department, Faculty of Sciences and Technology, University of Kinshasa, Kinshasa XI, Lemba, Kinshasa B.P. 127, Democratic Republic of the Congo","Chemistry and Industry Department, Faculty of Sciences and Technology, University of Kinshasa, Kinshasa XI, Lemba, Kinshasa B.P. 127, Democratic Republic of the Congo;"],"raw_orcid":"https://orcid.org/0000-0001-7819-7219","affiliations":[{"raw_affiliation_string":"Chemistry and Industry Department, Faculty of Sciences and Technology, University of Kinshasa, Kinshasa XI, Lemba, Kinshasa B.P. 127, Democratic Republic of the Congo","institution_ids":["https://openalex.org/I34942010"]},{"raw_affiliation_string":"Chemistry and Industry Department, Faculty of Sciences and Technology, University of Kinshasa, Kinshasa XI, Lemba, Kinshasa B.P. 127, Democratic Republic of the Congo;","institution_ids":["https://openalex.org/I34942010"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5039980035"],"corresponding_institution_ids":["https://openalex.org/I84929415"],"apc_list":{"value":1400,"currency":"CHF","value_usd":1515},"apc_paid":{"value":1400,"currency":"CHF","value_usd":1515},"fwci":3.3893,"has_fulltext":true,"cited_by_count":8,"citation_normalized_percentile":{"value":0.93315542,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"12","issue":"4","first_page":"78","last_page":"78"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12327","display_name":"Various Chemistry Research Topics","score":0.9977999925613403,"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"}},"topics":[{"id":"https://openalex.org/T12327","display_name":"Various Chemistry Research Topics","score":0.9977999925613403,"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/T13013","display_name":"Free Radicals and Antioxidants","score":0.9968000054359436,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":0.994700014591217,"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/management-science","display_name":"Management science","score":0.4423435926437378},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.3484158515930176},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.34122055768966675},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.33169010281562805},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.23084983229637146},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.19423732161521912}],"concepts":[{"id":"https://openalex.org/C539667460","wikidata":"https://www.wikidata.org/wiki/Q2414942","display_name":"Management science","level":1,"score":0.4423435926437378},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3484158515930176},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.34122055768966675},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.33169010281562805},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.23084983229637146},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.19423732161521912}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.3390/computation12040078","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation12040078","pdf_url":"https://www.mdpi.com/2079-3197/12/4/78/pdf?version=1712648168","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:5ad2fba6fc2746a998a1fd29521e936f","is_oa":true,"landing_page_url":"https://doaj.org/article/5ad2fba6fc2746a998a1fd29521e936f","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computation, Vol 12, Iss 4, p 78 (2024)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3390/computation12040078","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation12040078","pdf_url":"https://www.mdpi.com/2079-3197/12/4/78/pdf?version=1712648168","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/12","score":0.44999998807907104,"display_name":"Responsible consumption and production"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4394610612.pdf"},"referenced_works_count":341,"referenced_works":["https://openalex.org/W61104351","https://openalex.org/W107124257","https://openalex.org/W1039231063","https://openalex.org/W1252531196","https://openalex.org/W1516699160","https://openalex.org/W1553684448","https://openalex.org/W1674235549","https://openalex.org/W1703081596","https://openalex.org/W1904109945","https://openalex.org/W1926827464","https://openalex.org/W1963737263","https://openalex.org/W1964055372","https://openalex.org/W1964446240","https://openalex.org/W1965445965","https://openalex.org/W1965602687","https://openalex.org/W1966712500","https://openalex.org/W1966743338","https://openalex.org/W1969703068","https://openalex.org/W1970618622","https://openalex.org/W1970785155","https://openalex.org/W1970819089","https://openalex.org/W1974143645","https://openalex.org/W1976705554","https://openalex.org/W1978809115","https://openalex.org/W1980405524","https://openalex.org/W1980562691","https://openalex.org/W1982285237","https://openalex.org/W1983629694","https://openalex.org/W1983863167","https://openalex.org/W1984186904","https://openalex.org/W1986040229","https://openalex.org/W1986386720","https://openalex.org/W1987560950","https://openalex.org/W1988165294","https://openalex.org/W1992670984","https://openalex.org/W1993383767","https://openalex.org/W1994137367","https://openalex.org/W1994139775","https://openalex.org/W1995042715","https://openalex.org/W1995615023","https://openalex.org/W1997151511","https://openalex.org/W1997990070","https://openalex.org/W1998307771","https://openalex.org/W1999797546","https://openalex.org/W2000127808","https://openalex.org/W2000593030","https://openalex.org/W2001127287","https://openalex.org/W2002736454","https://openalex.org/W2004303971","https://openalex.org/W2005927137","https://openalex.org/W2006079279","https://openalex.org/W2006979337","https://openalex.org/W2007299520","https://openalex.org/W2008285632","https://openalex.org/W2008866687","https://openalex.org/W2010811934","https://openalex.org/W2011215428","https://openalex.org/W2012103256","https://openalex.org/W2013162009","https://openalex.org/W2013239680","https://openalex.org/W2014435233","https://openalex.org/W2015224921","https://openalex.org/W2016763331","https://openalex.org/W2016858252","https://openalex.org/W2017007148","https://openalex.org/W2017394797","https://openalex.org/W2017776794","https://openalex.org/W2019555480","https://openalex.org/W2021502908","https://openalex.org/W2025157967","https://openalex.org/W2025774053","https://openalex.org/W2025786467","https://openalex.org/W2026467865","https://openalex.org/W2027053193","https://openalex.org/W2027233803","https://openalex.org/W2027672471","https://openalex.org/W2027945440","https://openalex.org/W2028206255","https://openalex.org/W2029961407","https://openalex.org/W2033190950","https://openalex.org/W2033738243","https://openalex.org/W2034218598","https://openalex.org/W2038083805","https://openalex.org/W2039127550","https://openalex.org/W2039559098","https://openalex.org/W2041160762","https://openalex.org/W2042151238","https://openalex.org/W2042947255","https://openalex.org/W2044392760","https://openalex.org/W2045128730","https://openalex.org/W2045418085","https://openalex.org/W2046968087","https://openalex.org/W2047510784","https://openalex.org/W2048519421","https://openalex.org/W2049617698","https://openalex.org/W2049747350","https://openalex.org/W2052500616","https://openalex.org/W2052856849","https://openalex.org/W2053645157","https://openalex.org/W2054603278","https://openalex.org/W2054794561","https://openalex.org/W2055327257","https://openalex.org/W2055563809","https://openalex.org/W2056097827","https://openalex.org/W2056520231","https://openalex.org/W2057522288","https://openalex.org/W2057647173","https://openalex.org/W2058848030","https://openalex.org/W2060125579","https://openalex.org/W2060356734","https://openalex.org/W2060790416","https://openalex.org/W2062044284","https://openalex.org/W2062913022","https://openalex.org/W2063412279","https://openalex.org/W2065009334","https://openalex.org/W2066376171","https://openalex.org/W2067650133","https://openalex.org/W2069586413","https://openalex.org/W2071305085","https://openalex.org/W2071858547","https://openalex.org/W2075574523","https://openalex.org/W2075689546","https://openalex.org/W2075977894","https://openalex.org/W2077966212","https://openalex.org/W2078109147","https://openalex.org/W2081719547","https://openalex.org/W2084550263","https://openalex.org/W2085439752","https://openalex.org/W2085966856","https://openalex.org/W2086275405","https://openalex.org/W2088642458","https://openalex.org/W2088982782","https://openalex.org/W2089258285","https://openalex.org/W2090631936","https://openalex.org/W2091722634","https://openalex.org/W2095474273","https://openalex.org/W2096380713","https://openalex.org/W2098622919","https://openalex.org/W2099605079","https://openalex.org/W2100184769","https://openalex.org/W2104529244","https://openalex.org/W2107811195","https://openalex.org/W2108134720","https://openalex.org/W2108723745","https://openalex.org/W2108765440","https://openalex.org/W2108838313","https://openalex.org/W2110283222","https://openalex.org/W2113991454","https://openalex.org/W2115272113","https://openalex.org/W2115273980","https://openalex.org/W2115613169","https://openalex.org/W2116810732","https://openalex.org/W2119067660","https://openalex.org/W2122949998","https://openalex.org/W2124845167","https://openalex.org/W2124985647","https://openalex.org/W2125652394","https://openalex.org/W2131733260","https://openalex.org/W2133982938","https://openalex.org/W2135469866","https://openalex.org/W2135686556","https://openalex.org/W2142706107","https://openalex.org/W2144975103","https://openalex.org/W2146354085","https://openalex.org/W2146621759","https://openalex.org/W2146798438","https://openalex.org/W2148941593","https://openalex.org/W2149109179","https://openalex.org/W2149469850","https://openalex.org/W2150545125","https://openalex.org/W2150646833","https://openalex.org/W2154208181","https://openalex.org/W2154794547","https://openalex.org/W2155064705","https://openalex.org/W2157413562","https://openalex.org/W2158476854","https://openalex.org/W2162459979","https://openalex.org/W2164011287","https://openalex.org/W2165923378","https://openalex.org/W2168551042","https://openalex.org/W2168865322","https://openalex.org/W2168998529","https://openalex.org/W2169527365","https://openalex.org/W2169655552","https://openalex.org/W2170938824","https://openalex.org/W2171530299","https://openalex.org/W2190771603","https://openalex.org/W2191703368","https://openalex.org/W2294213565","https://openalex.org/W2301277269","https://openalex.org/W2305488612","https://openalex.org/W2312634253","https://openalex.org/W2313449989","https://openalex.org/W2313847657","https://openalex.org/W2313894009","https://openalex.org/W2315455839","https://openalex.org/W2315660812","https://openalex.org/W2316928488","https://openalex.org/W2317592219","https://openalex.org/W2319164818","https://openalex.org/W2322040949","https://openalex.org/W2322368868","https://openalex.org/W2322907245","https://openalex.org/W2325128512","https://openalex.org/W2326000471","https://openalex.org/W2326203395","https://openalex.org/W2327103653","https://openalex.org/W2327501201","https://openalex.org/W2332455168","https://openalex.org/W2333752659","https://openalex.org/W2334104499","https://openalex.org/W2335301537","https://openalex.org/W2336920314","https://openalex.org/W2345354812","https://openalex.org/W2396577106","https://openalex.org/W2399825251","https://openalex.org/W2402945017","https://openalex.org/W2414326370","https://openalex.org/W2440786981","https://openalex.org/W2465521777","https://openalex.org/W2474743204","https://openalex.org/W2479926457","https://openalex.org/W2483704935","https://openalex.org/W2491105157","https://openalex.org/W2509165364","https://openalex.org/W2537512562","https://openalex.org/W2560450257","https://openalex.org/W2567489522","https://openalex.org/W2575066828","https://openalex.org/W2575599456","https://openalex.org/W2592563448","https://openalex.org/W2593584634","https://openalex.org/W2595891670","https://openalex.org/W2600523356","https://openalex.org/W2601204709","https://openalex.org/W2602999293","https://openalex.org/W2605357971","https://openalex.org/W2606852404","https://openalex.org/W2613150452","https://openalex.org/W2618686671","https://openalex.org/W2700960607","https://openalex.org/W2732182726","https://openalex.org/W2738273883","https://openalex.org/W2754321314","https://openalex.org/W2761449331","https://openalex.org/W2770483985","https://openalex.org/W2771237935","https://openalex.org/W2788692372","https://openalex.org/W2794119484","https://openalex.org/W2795704563","https://openalex.org/W2796277309","https://openalex.org/W2796288304","https://openalex.org/W2802745990","https://openalex.org/W2804395910","https://openalex.org/W2884047721","https://openalex.org/W2888489529","https://openalex.org/W2891774502","https://openalex.org/W2894375572","https://openalex.org/W2901318938","https://openalex.org/W2901440519","https://openalex.org/W2901719664","https://openalex.org/W2903155593","https://openalex.org/W2907311475","https://openalex.org/W2936516161","https://openalex.org/W2944705718","https://openalex.org/W2945346850","https://openalex.org/W2953254872","https://openalex.org/W2954961100","https://openalex.org/W2956230998","https://openalex.org/W2966064101","https://openalex.org/W2966295375","https://openalex.org/W2968236920","https://openalex.org/W2969511157","https://openalex.org/W2981013949","https://openalex.org/W2985010600","https://openalex.org/W2988747780","https://openalex.org/W2991109877","https://openalex.org/W2991425349","https://openalex.org/W2997923868","https://openalex.org/W3005725774","https://openalex.org/W3018343842","https://openalex.org/W3022462073","https://openalex.org/W3035369600","https://openalex.org/W3037033204","https://openalex.org/W3049509638","https://openalex.org/W3087424893","https://openalex.org/W3096222036","https://openalex.org/W3104427881","https://openalex.org/W3104518734","https://openalex.org/W3107820844","https://openalex.org/W3111408137","https://openalex.org/W3121061128","https://openalex.org/W3128552584","https://openalex.org/W3159512915","https://openalex.org/W3159957928","https://openalex.org/W3172747904","https://openalex.org/W3173094588","https://openalex.org/W3174415140","https://openalex.org/W3204061141","https://openalex.org/W3207034697","https://openalex.org/W3215270952","https://openalex.org/W3216084429","https://openalex.org/W4200236785","https://openalex.org/W4205824798","https://openalex.org/W4210471787","https://openalex.org/W4229671545","https://openalex.org/W4233269677","https://openalex.org/W4238569972","https://openalex.org/W4243961079","https://openalex.org/W4246334136","https://openalex.org/W4248837034","https://openalex.org/W4281679590","https://openalex.org/W4281761612","https://openalex.org/W4283765627","https://openalex.org/W4286218489","https://openalex.org/W4307742098","https://openalex.org/W4308774681","https://openalex.org/W4308784237","https://openalex.org/W4309717790","https://openalex.org/W4311577798","https://openalex.org/W4311961086","https://openalex.org/W4323317018","https://openalex.org/W4364321830","https://openalex.org/W4380854625","https://openalex.org/W4384663133","https://openalex.org/W4385225925","https://openalex.org/W4385689489","https://openalex.org/W4385690461","https://openalex.org/W4385765459","https://openalex.org/W4386279883","https://openalex.org/W4386573948","https://openalex.org/W4387335280","https://openalex.org/W4388166534","https://openalex.org/W4388408238","https://openalex.org/W6652399788","https://openalex.org/W6699325988","https://openalex.org/W6715682212","https://openalex.org/W6741480158","https://openalex.org/W6751269037","https://openalex.org/W6755383509","https://openalex.org/W6780201079"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2478288626","https://openalex.org/W4391913857","https://openalex.org/W2350741829"],"abstract_inverted_index":{"Many":[0],"industrial":[1],"processes,":[2],"several":[3],"natural":[4],"processes":[5,12,31,81,189],"involving":[6],"non-living":[7],"matter,":[8],"and":[9,47,54,59,105,130,151,153,198,233],"all":[10],"the":[11,24,30,52,60,66,69,79,89,120,127,156,163,169,185,188,200,213,219,230],"occurring":[13,82,190],"within":[14,34,191],"living":[15,193],"organisms":[16],"take":[17],"place":[18],"in":[19,29,62,83,91,178,212],"solution.":[20],"This":[21],"means":[22],"that":[23,158],"molecules":[25,41,46,140],"playing":[26],"active":[27],"roles":[28,87],"are":[32,42,176],"present":[33],"another":[35],"medium,":[36],"called":[37],"solvent.":[38],"The":[39,223],"solute":[40,70,128,143],"surrounded":[43],"by":[44,218],"solvent":[45,90,121,139],"interact":[48],"with":[49,239],"them.":[50],"Understanding":[51],"nature":[53],"strength":[55],"of":[56,68,78,88,100,137,146,165,181,187,202,229,236],"these":[57],"interactions,":[58],"way":[61],"which":[63],"they":[64],"modify":[65],"properties":[67],"molecules,":[71],"is":[72,159],"important":[73,177],"for":[74,162,168],"a":[75,98,117,123,131,134,142,192,226],"better":[76],"understanding":[77],"chemical":[80,214],"solution,":[84],"including":[85],"possible":[86],"those":[92],"processes.":[93],"Computational":[94],"studies":[95,175],"can":[96],"provide":[97],"wealth":[99],"information":[101,166],"on":[102],"solute\u2013solvent":[103],"interactions":[104],"their":[106],"effects.":[107],"Two":[108],"major":[109],"models":[110],"have":[111],"been":[112],"developed":[113],"to":[114,195,199,207,241],"this":[115],"purpose:":[116],"model":[118,132,157],"viewing":[119],"as":[122,216],"polarisable":[124],"continuum":[125],"surrounding":[126],"molecule,":[129],"considering":[133],"certain":[135],"number":[136],"explicit":[138],"around":[141],"molecule.":[144],"Each":[145],"them":[147],"has":[148],"its":[149],"advantages":[150],"challenges,":[152],"one":[154],"selects":[155],"more":[160],"suitable":[161],"type":[164],"desired":[167],"specific":[170],"system":[171],"under":[172],"consideration.":[173],"These":[174],"many":[179],"areas":[180],"chemistry":[182,221],"research,":[183],"from":[184],"investigation":[186,244],"organism":[194],"drug":[196],"design":[197,201],"environmentally":[203],"benign":[204,210],"solvents":[205],"meant":[206],"replace":[208],"less":[209],"ones":[211],"industry,":[215],"envisaged":[217],"green":[220],"principles.":[222],"paper":[224],"presents":[225],"quick":[227],"overview":[228,235],"modelling":[231],"approaches":[232],"an":[234],"concrete":[237],"studies,":[238],"reference":[240],"selected":[242],"crucial":[243],"themes.":[245]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":2}],"updated_date":"2025-12-19T19:40:27.379048","created_date":"2025-10-10T00:00:00"}
