1. Shodhganga@INFLIBNET
  2. Panjab University
  3. Department of Chemistry
Please use this identifier to cite or link to this item: http://hdl.handle.net/10603/253793
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dc.coverage.spatialChemistry
dc.date.accessioned2019-08-21T10:34:26Z-
dc.date.available2019-08-21T10:34:26Z-
dc.identifier.urihttp://hdl.handle.net/10603/253793-
dc.description.abstractThe current work is directed towards gaining a fundamental knowledge of the various properties of transition metal oxide (i.e. (TiO2)3, CrO3, (CrO3)3 and (ZnO)3) clusters such as, oxidation, catalysis, photophysical properties due to their diverse technological and commercial applications. Rigorous Quantum Mechanical calculations have been performed within the formalism of density functional theory (DFT) and time-dependent DFT (TDDFT) methods.
dc.format.extentxv,161p.
dc.languageEnglish
dc.relation-
dc.rightsuniversity
dc.titleDensity functional studies on structural electronic and oxidative properties of transition metal oxide clusters
dc.title.alternative-
dc.creator.researcherIndu
dc.subject.keywordDensity Functional Theory
dc.subject.keywordPhysical Sciences,Chemistry,Chemistry Physical
dc.subject.keywordQuantum Chemistry
dc.subject.keywordReaction Mechanisms
dc.subject.keywordSubstrate Effect
dc.subject.keywordTransition Metal Oxide Clusters
dc.description.noteSummary and Future Outlook p.156-158, List of Publications p.159 and Papers Presented and Conferences Attended p.160-161
dc.contributor.guideGoel, Neetu and Gupta, Shuchi
dc.publisher.placeChandigarh
dc.publisher.universityPanjab University
dc.publisher.institutionDepartment of Chemistry
dc.date.registered21/04/2014
dc.date.completed2019
dc.date.awardedn.d.
dc.format.dimensions-
dc.format.accompanyingmaterialCD
dc.source.universityUniversity
dc.type.degreePh.D.
Appears in Departments:Department of Chemistry

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01_title.pdfAttached File144.75 kBAdobe PDFView/Open
02_certificate.pdf669.34 kBAdobe PDFView/Open
03_acknowledgement.pdf244.5 kBAdobe PDFView/Open
04_contents.pdf191.13 kBAdobe PDFView/Open
05_list_of_figures.pdf312.27 kBAdobe PDFView/Open
06_list_of_tables.pdf145.72 kBAdobe PDFView/Open
07_list_of_schemes.pdf141.85 kBAdobe PDFView/Open
08_chapter1.pdf257.92 kBAdobe PDFView/Open
09_chapter2.pdf616.78 kBAdobe PDFView/Open
10_chapter3.pdf1.69 MBAdobe PDFView/Open
11_chapter4.pdf2 MBAdobe PDFView/Open
12_chapter5.pdf1.16 MBAdobe PDFView/Open
13_chapter6.pdf1.34 MBAdobe PDFView/Open
14_summary_and_future_outlook.pdf125.28 kBAdobe PDFView/Open
15_list_of_publications.pdf65.06 kBAdobe PDFView/Open
16_papers_presented_and_conferences_attended.pdf102.47 kBAdobe PDFView/Open
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