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Research Projects
Supported by HKU's High Performance Computing Facilities |
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| Researcher: |
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Professor Chi-ming Che and Dr Glenna S M Tong |
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| Project Title: |
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Theoretical Studies of Transition Metal Containing Compounds |
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Project Description: |
- to study the interaction
between closed-shell metal coordination complexes and their spectroscopic
properties;
- to study the
photoluminescence properties of the gold-containing conjugated polymers
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Project Duration: |
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One year |
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Project
Significance: |
- closed-shell transition
metal containing complexes have potential applications in optical
materials, photocatalysts, biosensors, and molecular pharmacology. Such
applications are pertinent to their electronic structure and excited state
properties and thus theoretical investigation is essential.
- conjugated polymers are of
much commercial potential such as the organic light emitting diodes (OLED).
Knowledge of the triplet state is important in understanding the
photophysical properties of conjugated polymers.
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Results
Achieved: |
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In progress |
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Remarks on the
Use of High Performance Computing Cluster: |
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Extensive G98 calculations with a much faster speed. More jobs can be
submitted simultaneously. Longer time for each job. |
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Email Address: |
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cmche@hkucc.hku.hk (Professor Che) &
tongsm@hkucc.hku.hk (Dr Tong) |
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