| 151 |
102-1
|
研究報告
|
第一原理金屬表面分子動態與振動光譜理論研究
|
| 152 |
103-1
|
研究獎勵
|
Ab Initio Molecular Dynamics Study of Ethylene Adsorption onto Si(001) Surface: Short-time Fourier Transform Analysis of Structural Coordinate Autocorrelation Function
|
| 153 |
103-1
|
研究獎勵
|
Simulated SERS spectra of 4,4′-bipyridine/gold single molecule junction in different conductance states: ab initio molecular dynamics approach
|
| 154 |
103-1
|
研究獎勵
|
Chemical mechanism of surface-enhanced Raman scattering spectrum of pyridine adsorbed on Ag cluster: Ab initio molecular dynamics approach
|
| 155 |
102-1
|
期刊論文
|
Chemical mechanism of surface-enhanced Raman scattering spectrum of pyridine adsorbed on Ag cluster: Ab initio molecular dynamics approach
|
| 156 |
102-1
|
期刊論文
|
Ab Initio Molecular Dynamics Study of Ethylene Adsorption onto Si(001) Surface: Short-time Fourier Transform Analysis of Structural Coordinate Autocorrelation Function
|
| 157 |
103-2
|
教學計畫表
|
化學系生化二:物理化學實驗 TSCCB2S0148 2A
|
| 158 |
103-2
|
教學計畫表
|
化學系生化二:物理化學 TSCCB2S0143 2A
|
| 159 |
103-2
|
教學計畫表
|
化學系材化一:資訊概論 TSCDB1E1034 2R
|
| 160 |
103-2
|
教學計畫表
|
化學系生化一:資訊概論 TSCCB1E1034 2R
|
| 161 |
99-1
|
期刊論文
|
DFT study of self-coupling reaction of CF2 coadsorbed on Cu(111) surface for forming CF2=CF2
|
| 162 |
81-2
|
期刊論文
|
Optimized and transferable nonlocal separable ab initio pseudopotentials
|
| 163 |
81-2
|
期刊論文
|
Free energy and entropy of diffusion by ab initio molecular dynamics: Alkali ions in silicon
|
| 164 |
89-1
|
期刊論文
|
Structural Properties of Lanthanide and Actinide Compounds within the Plane Wave Pseudopotential Approach
|
| 165 |
102-1
|
出席學術性會議
|
The first OPU-TKU international Symposium on Frontier Chemistry and Materials for the 21st Century
|
| 166 |
103-1
|
短期講學研究
|
高級訪問學者-復旦大學
|
| 167 |
103-1
|
學術演講
|
2nd TKU-OPU and 4th TKU-ECUST-OPU
|
| 168 |
102-2
|
學術演講
|
ICTAC15 15th International Cobference on Theoretical Aspects of Catalysis
|
| 169 |
103-1
|
出席學術性會議
|
2nd TKU-OPU 4Th TKU-ECUST-OPU-KIST
|
| 170 |
92-2
|
會議論文
|
DFT Study of the Formation of CH2=CF2 through the Fischer-Tropsch process on Ag(111) Surface
|
| 171 |
92-1
|
會議論文
|
DFT study of the Formation of CH2=CF2 through the Fischer-Tropsch process on Ag(111) surface
|
| 172 |
94-2
|
會議論文
|
Density Functional Study of the Interfacial Electron Transfer Pathway for Monolayer-Adsorbed InN on the TiO2 Anatase (101) Surface
|
| 173 |
94-2
|
會議論文
|
Density Functional Study of the Interfacial Electron Transfer Pathway for Monolayer-Adsorbed InN on the TiO2 Anatase (101) Surface
|
| 174 |
102-2
|
出席學術性會議
|
15th International Conference on Theoretical Aspects of Catalysis
|
| 175 |
103-1
|
研發處: 研究計畫 (國科會)
|
第一原理金屬表面分子動態與振動光譜理論研究(II)
|
| 176 |
103-1
|
教學計畫表
|
化學系生化一:普通化學實驗 TSCCB1S0289 1B
|
| 177 |
103-1
|
教學計畫表
|
化學系材化一:資訊概論 TSCDB1E1034 1R
|
| 178 |
103-1
|
教學計畫表
|
化學系生化一:資訊概論 TSCCB1E1034 1R
|
| 179 |
103-1
|
教學計畫表
|
化學系生化二:物理化學實驗 TSCCB2S0148 1A
|
| 180 |
103-1
|
教學計畫表
|
化學系材化二:電腦在化學上的應用 TSCDB2S0859 0A
|