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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
| Title | Assessment of performance of different computational methods (DFT and MP2) with different levels of basis sets benchmarked by CBS-QB3 methodby selected reactions |
|---|---|
| Authors | |
| Advisors | Advisor(s):Phillips, DL |
| Issue Date | 2010 |
| Publisher | The 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 |
| Degree | Master of Philosophy |
| Subject | Hydrolysis. Phosgene. Chlorides. |
| Dept/Program | Chemistry |
| Persistent Identifier | http://hdl.handle.net/10722/133210 |
| HKU Library Item ID | b4560726 |
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.advisor | Phillips, DL | - |
| dc.contributor.author | Ng, Ping-leung. | - |
| dc.contributor.author | 吳炳樑. | - |
| dc.date.issued | 2010 | - |
| dc.identifier.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 | - |
| dc.identifier.uri | http://hdl.handle.net/10722/133210 | - |
| dc.language | eng | - |
| dc.publisher | The University of Hong Kong (Pokfulam, Hong Kong) | - |
| dc.relation.ispartof | HKU Theses Online (HKUTO) | - |
| dc.rights | The author retains all proprietary rights, (such as patent rights) and the right to use in future works. | - |
| dc.rights | This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. | - |
| dc.source.uri | http://hub.hku.hk/bib/B45607266 | - |
| dc.subject.lcsh | Hydrolysis. | - |
| dc.subject.lcsh | Phosgene. | - |
| dc.subject.lcsh | Chlorides. | - |
| dc.title | Assessment of performance of different computational methods (DFT and MP2) with different levels of basis sets benchmarked by CBS-QB3 methodby selected reactions | - |
| dc.type | PG_Thesis | - |
| dc.identifier.hkul | b4560726 | - |
| dc.description.thesisname | Master of Philosophy | - |
| dc.description.thesislevel | Master | - |
| dc.description.thesisdiscipline | Chemistry | - |
| dc.description.nature | published_or_final_version | - |
| dc.identifier.doi | 10.5353/th_b4560726 | - |
| dc.date.hkucongregation | 2011 | - |
| dc.identifier.mmsid | 991031620329703414 | - |