- 作者: 夏友平
- 作者服務機構: Contribution from the Department of Chemistry, National Tsing Hua University, Taipei, China
- 中文摘要: A method for analysis of separate sigma and pi overlap populations in a system of very low symmetry has been proposed. The calculations are performed in Ti2O3, rutile, anatase, brookite and tetragonal barium titanate. The examination of the various bond overlap populations has led to reasonable explanation on the infrared absorption spectra of CO and CO2 chemisorption on rutile and anatase and the relative heats of formation of anatase, rutile and brookite.
- 英文摘要: --
- 中文關鍵字: --
- 英文關鍵字: --