Ab-initio molecular dynamic simulation studies: 1. Temperature induced carbon-halogen dissociated reaction and Cα-Cα self-coupling reactions 2. STM-tip induced CO(ads) desorption reaction and their inelastic electron tunneling spectroscopy
博士 === 淡江大學 === 化學學系博士班 === 103 === Density functional theory (DFT)-based molecular dynamic simulation in combination with time-resolved simulated reflected infrared adsorption spectroscopy is performed to study 1) the dynamic behavior of catalytic reaction for carbon-halogen dissociation and carbon...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | en_US |
| Published: |
2015
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| Online Access: | http://ndltd.ncl.edu.tw/handle/ju5e4k |