- 期刊
- OpenAccess
Accurate Density-Functional Calculation of Core-Electron Binding Energies of C1 to C4 Hydrocarbons
並列摘要
Our efficient method for calculating accurate core-electron binding energies has been applied to hydrocarbons containing up to four carbon atoms. Although the chemical environment around each carbon nucleus is not sufficiently different from one another to distinguish alkyl carbons from alkenyl or alkynyl carbons, the predicted core-electron spectra can be extremely useful in the identification of possible isomers of any CmHn up to m=4.
並列關鍵字
無資料被引用紀錄
Lin, K. F. (2008). 克氏分析之邊界積分方程式 [master's thesis, National Taiwan University]. Airiti Library. https://doi.org/10.6342/NTU.2008.03143
延伸閱讀
- Guo, Z. (2009). Density functional theory studies of selected hydrogen bond assisted chemical reactions [doctoral dissertation, The University of Hong Kong]. Airiti Library. https://www.airitilibrary.com/Article/Detail?DocID=U0029-1812201200015505
- 李明翰（2010）。The microstructure and property analysis of aliovalent cations (Sm3+, Ca2+) doped ceria-base electroyte〔碩士論文，國立臺北科技大學〕。華藝線上圖書館。https://www.airitilibrary.com/Article/Detail?DocID=U0006-1908201014315200
- 盧力華、陳成、溫啟能（1996）。The Study for Core-Core Repulsion Parameters and Molecular Orbital Calculation of Hydrogen Bonds。化學，54(1)，39-43。https://doi.org/10.6623/chem.1996006
- 陳振興、林渭川（1976）。Effect of Temperature on Internal Rotation about the C-C Bond in Non-Symmetrical 1,2-Disubstituted Ethanes。化學，(65年1)，1-6。https://doi.org/10.6623/chem.1976001
- Chen, W. Y. (2020). Mechanism Study of CO2 Reduction Reaction on CuAu and CuAg Alloys by Density Functional Theory Calculation [master's thesis, National Taiwan Normal University]. Airiti Library. https://doi.org/10.6345/NTNU202001075