Development and Application of Efficient Data Analytic Methods in Quantum Chemistry
This work presents systematical approaches to improve both the application and theory of quantum chemical methods. Semi-empirical and ab initio quantum chemical methods are used to model fluorescent dyes for bio-imaging. A new approach to development of semiempirical quantum chemical methods is expl...
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| Format: | Others |
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Research Showcase @ CMU
2015
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| Online Access: | http://repository.cmu.edu/dissertations/1028 http://repository.cmu.edu/cgi/viewcontent.cgi?article=2067&context=dissertations |