{"id":{"repo_id":"buffalo","oai_identifier":"oai:ubir.buffalo.edu:10477/78548"},"canonical_url":"https://search.dev.ndltd.org/etd/buffalo/oai:ubir.buffalo.edu:10477/78548","repository":{"repo_id":"buffalo","name":"Buffalo","base_url":"https://ubir.buffalo.edu/oai/request"},"display":{"title":"Interactions at the Surface-Adsorbate Interface: An Outlook Through Computational Work","abstract":"Ph.D.","abstract_html":"Ph.D.","abstract_has_math":false,"creators":["Miller, Daniel; 0000-0003-1507-2667"],"institution":"State University of New York at Buffalo","degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":null,"school":null,"contributors":["Zurek, Eva","Chemistry"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2018,"date_issued":"2018-10-26T02:55:16Z","date_published":"2018-10-26T02:55:16Z","updated_at":"2026-07-27T19:05:12Z","subjects":["chemistry","computational chemistry","physical chemistry"],"languages":["eng"],"rights":["Users of works found in University at Buffalo Institutional Repository (UBIR) are responsible for identifying and contacting the copyright owner for permission to reuse. University at Buffalo Libraries do not manage rights for copyright-protected works and cannot assist with permissions.","Copyright retained by author."],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/10477/78548","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Zurek, Eva","Chemistry"]},{"key":"dc:creator","label":"Author","values":["Miller, Daniel; 0000-0003-1507-2667"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2018-10-26T02:55:16Z","2018","2018-08-02 12:14:14"]},{"key":"dc:publisher","label":"Institution","values":["State University of New York at Buffalo"]},{"key":"dc:type","label":"Dc Type","values":["Text","Dissertation"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["chemistry","computational chemistry","physical chemistry"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["eng"]},{"key":"dc:rights","label":"Dc Rights","values":["Users of works found in University at Buffalo Institutional Repository (UBIR) are responsible for identifying and contacting the copyright owner for permission to reuse. University at Buffalo Libraries do not manage rights for copyright-protected works and cannot assist with permissions.","Copyright retained by author."]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/10477/78548"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Ph.D.","The interaction between surfaces and adsorbates are discussed from the results of a multitude of different projects. Single molecule adsorption, molecular cluster formation, and hydrogen bonded molecular networks were studied and the results hold promise towards a variety of electronic applications, even in the absence of detailed experimental data. Density functional theory, with implementations that account for dispersion forces, was used to investigate the electronic structure of iron porphyrin, monosubstituted benzene derivatives, benzimidazole, 1,2-dihydro-1,2-azaborine, chevron-type graphene nanoribbons, and cocrystallization of croconic acid and a p-benzoquinonemonoimine zwitterion derivative on metallic surfaces.","**To request an accessible version of the file(s) associated with this item, contact library@buffalo.edu. Please include the item's persistent URL [http://hdl.handle.net/. . .] in your request.**"]},{"key":"dc:format","label":"Dc Format","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Interactions at the Surface-Adsorbate Interface: An Outlook Through Computational Work"]}]}],"canonical_facts":{"dc:contributor":["Zurek, Eva","Chemistry"],"dc:creator":["Miller, Daniel; 0000-0003-1507-2667"],"dc:date":["2018-10-26T02:55:16Z","2018","2018-08-02 12:14:14"],"dc:description":["Ph.D.","The interaction between surfaces and adsorbates are discussed from the results of a multitude of different projects. Single molecule adsorption, molecular cluster formation, and hydrogen bonded molecular networks were studied and the results hold promise towards a variety of electronic applications, even in the absence of detailed experimental data. Density functional theory, with implementations that account for dispersion forces, was used to investigate the electronic structure of iron porphyrin, monosubstituted benzene derivatives, benzimidazole, 1,2-dihydro-1,2-azaborine, chevron-type graphene nanoribbons, and cocrystallization of croconic acid and a p-benzoquinonemonoimine zwitterion derivative on metallic surfaces.","**To request an accessible version of the file(s) associated with this item, contact library@buffalo.edu. Please include the item's persistent URL [http://hdl.handle.net/. . .] in your request.**"],"dc:format":["application/pdf"],"dc:identifier":["http://hdl.handle.net/10477/78548"],"dc:language":["eng"],"dc:publisher":["State University of New York at Buffalo"],"dc:rights":["Users of works found in University at Buffalo Institutional Repository (UBIR) are responsible for identifying and contacting the copyright owner for permission to reuse. University at Buffalo Libraries do not manage rights for copyright-protected works and cannot assist with permissions.","Copyright retained by author."],"dc:subject":["chemistry","computational chemistry","physical chemistry"],"dc:title":["Interactions at the Surface-Adsorbate Interface: An Outlook Through Computational Work"],"dc:type":["Text","Dissertation"]},"updated_at":"2026-07-27T19:05:12Z"}