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postgraduate thesis: Assessment of performance of different computational methods (DFT and MP2) with different levels of basis sets benchmarked by CBS-QB3 methodby selected reactions

TitleAssessment of performance of different computational methods (DFT and MP2) with different levels of basis sets benchmarked by CBS-QB3 methodby selected reactions
Authors
Ng, Ping-leung.吳炳樑.
Advisors
Advisor(s):Phillips, DL
Issue Date2010
PublisherThe University of Hong Kong (Pokfulam, Hong Kong)
Citation
Ng, P. [吳炳樑]. (2010). Assessment of performance of different computational methods (DFT and MP2) with different levels of basis sets benchmarked by CBS-QB3 method by selected reactions. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b4560726
DegreeMaster of Philosophy
SubjectHydrolysis.
Phosgene.
Chlorides.
Dept/ProgramChemistry
Persistent Identifierhttp://hdl.handle.net/10722/133210
HKU Library Item IDb4560726

 

DC FieldValueLanguage
dc.contributor.advisorPhillips, DL-
dc.contributor.authorNg, Ping-leung.-
dc.contributor.author吳炳樑.-
dc.date.issued2010-
dc.identifier.citationNg, P. [吳炳樑]. (2010). Assessment of performance of different computational methods (DFT and MP2) with different levels of basis sets benchmarked by CBS-QB3 method by selected reactions. (Thesis). University of Hong Kong, Pokfulam, Hong Kong SAR. Retrieved from http://dx.doi.org/10.5353/th_b4560726-
dc.identifier.urihttp://hdl.handle.net/10722/133210-
dc.languageeng-
dc.publisherThe University of Hong Kong (Pokfulam, Hong Kong)-
dc.relation.ispartofHKU Theses Online (HKUTO)-
dc.rightsThe author retains all proprietary rights, (such as patent rights) and the right to use in future works.-
dc.rightsThis work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.-
dc.source.urihttp://hub.hku.hk/bib/B45607266-
dc.subject.lcshHydrolysis.-
dc.subject.lcshPhosgene.-
dc.subject.lcshChlorides.-
dc.titleAssessment of performance of different computational methods (DFT and MP2) with different levels of basis sets benchmarked by CBS-QB3 methodby selected reactions-
dc.typePG_Thesis-
dc.identifier.hkulb4560726-
dc.description.thesisnameMaster of Philosophy-
dc.description.thesislevelMaster-
dc.description.thesisdisciplineChemistry-
dc.description.naturepublished_or_final_version-
dc.identifier.doi10.5353/th_b4560726-
dc.date.hkucongregation2011-
dc.identifier.mmsid991031620329703414-

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