{"id":{"repo_id":"milano","oai_identifier":"oai:air.unimi.it:2434/150071"},"canonical_url":"https://search.dev.ndltd.org/etd/milano/oai:air.unimi.it:2434/150071","repository":{"repo_id":"milano","name":"Università degli Studi di Milano","base_url":"https://air.unimi.it/oai/request"},"display":{"title":"ORGANOMETALLIC CHEMISTRY FROM THE INTERACTING QUANTUM ATOM APPROACH","abstract":"The Interacting Quantum Atoms approach(IQA) is a recent development of Bader’s QTAM(Quantum Theory of Atoms in Molecules). During the PhD studies the use of pseudopotential inside IQA was implemented allowing the study of transition metal compounds with this techniques. Furthermore IQA concepts were joined with Ponèc’s DAFH (Domain Avaraged Fermi Hole) giving the so-called IQA-EDF-DAFH analysis (EDF= electron-number distribution function) which provide a complete description of the chemical bond in terms of electron density. In order to make benchmark of this new technique classic metal-organic molecules like metal carbonyls, metal hydrides and simple metal dimeric compounds were studied.","abstract_html":"The Interacting Quantum Atoms approach(IQA) is a recent development of Bader’s QTAM(Quantum Theory of Atoms in Molecules). During the PhD studies the use of pseudopotential inside IQA was implemented allowing the study of transition metal compounds with this techniques. Furthermore IQA concepts were joined with Ponèc’s DAFH (Domain Avaraged Fermi Hole) giving the so-called IQA-EDF-DAFH analysis (EDF= electron-number distribution function) which provide a complete description of the chemical bond in terms of electron density. In order to make benchmark of this new technique classic metal-organic molecules like metal carbonyls, metal hydrides and simple metal dimeric compounds were studied.","abstract_has_math":false,"creators":["TIANA, DAVIDE"],"institution":"Università degli Studi di Milano","degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":null,"school":null,"contributors":["tutor: Angelo Sironi ; coordinatore: Silvia Ardizzone","D. Tiana","SIRONI, ANGELO AGOSTINO DANIELE","ARDIZZONE, SILVIA"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2010,"date_issued":"2010-12-10","date_published":"2010-12-10","updated_at":"2026-07-27T20:19:15Z","subjects":["QTAM","IQA","DAFH","metalorganic","organometallic","metal metal multiple bond","backdonation","metal carbonyl bond","metal hydride bond","non classic carbonyl","non classic hydrdide","hydrogen activation","hydrogen cleavage","Settore CHIM/03 - Chimica Generale e Inorganica"],"languages":["eng"],"rights":["info:eu-repo/semantics/openAccess"],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["10.13130/tiana-davide_phd2010-12-10"],"render_values":[{"text":"10.13130/tiana-davide_phd2010-12-10","href":"https://doi.org/10.13130/tiana-davide_phd2010-12-10","code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/2434/150071","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["tutor: Angelo Sironi ; coordinatore: Silvia Ardizzone","D. Tiana","SIRONI, ANGELO AGOSTINO DANIELE","ARDIZZONE, SILVIA"]},{"key":"dc:creator","label":"Author","values":["TIANA, DAVIDE"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2010-12-10"]},{"key":"dc:publisher","label":"Institution","values":["Università degli Studi di Milano"]},{"key":"dc:type","label":"Dc Type","values":["info:eu-repo/semantics/doctoralThesis"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["QTAM","IQA","DAFH","metalorganic","organometallic","metal metal multiple bond","backdonation","metal carbonyl bond","metal hydride bond","non classic carbonyl","non classic hydrdide","hydrogen activation","hydrogen cleavage","Settore CHIM/03 - Chimica Generale e Inorganica"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["eng"]},{"key":"dc:rights","label":"Dc Rights","values":["info:eu-repo/semantics/openAccess"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2434/150071","10.13130/tiana-davide_phd2010-12-10"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["The Interacting Quantum Atoms approach(IQA) is a recent development of Bader’s QTAM(Quantum Theory of Atoms in Molecules). During the PhD studies the use of pseudopotential inside IQA was implemented allowing the study of transition metal compounds with this techniques. Furthermore IQA concepts were joined with Ponèc’s DAFH (Domain Avaraged Fermi Hole) giving the so-called IQA-EDF-DAFH analysis (EDF= electron-number distribution function) which provide a complete description of the chemical bond in terms of electron density. In order to make benchmark of this new technique classic metal-organic molecules like metal carbonyls, metal hydrides and simple metal dimeric compounds were studied."]},{"key":"dc:title","label":"Title","values":["ORGANOMETALLIC CHEMISTRY FROM THE INTERACTING QUANTUM ATOM APPROACH"]}]}],"canonical_facts":{"dc:contributor":["tutor: Angelo Sironi ; coordinatore: Silvia Ardizzone","D. Tiana","SIRONI, ANGELO AGOSTINO DANIELE","ARDIZZONE, SILVIA"],"dc:creator":["TIANA, DAVIDE"],"dc:date":["2010-12-10"],"dc:description":["The Interacting Quantum Atoms approach(IQA) is a recent development of Bader’s QTAM(Quantum Theory of Atoms in Molecules). During the PhD studies the use of pseudopotential inside IQA was implemented allowing the study of transition metal compounds with this techniques. Furthermore IQA concepts were joined with Ponèc’s DAFH (Domain Avaraged Fermi Hole) giving the so-called IQA-EDF-DAFH analysis (EDF= electron-number distribution function) which provide a complete description of the chemical bond in terms of electron density. In order to make benchmark of this new technique classic metal-organic molecules like metal carbonyls, metal hydrides and simple metal dimeric compounds were studied."],"dc:identifier":["http://hdl.handle.net/2434/150071","10.13130/tiana-davide_phd2010-12-10"],"dc:language":["eng"],"dc:publisher":["Università degli Studi di Milano"],"dc:rights":["info:eu-repo/semantics/openAccess"],"dc:subject":["QTAM","IQA","DAFH","metalorganic","organometallic","metal metal multiple bond","backdonation","metal carbonyl bond","metal hydride bond","non classic carbonyl","non classic hydrdide","hydrogen activation","hydrogen cleavage","Settore CHIM/03 - Chimica Generale e Inorganica"],"dc:title":["ORGANOMETALLIC CHEMISTRY FROM THE INTERACTING QUANTUM ATOM APPROACH"],"dc:type":["info:eu-repo/semantics/doctoralThesis"]},"updated_at":"2026-07-27T20:19:15Z"}