抜粋
The bond energy density analysis (Bond-EDA), which can evaluate bond energies in molecules by using the results of theoretical calculations, is applied to investigate chemical bonds in Diels-Alder (DA) reaction. Evaluation of the bond energies confirms the bond alternation in the reactant and product quantitatively, and shows that the TS structure is close to the reactant. In the case of regioselective reaction, local stabilities in newly formed bonds in the TS show significant differences, which correspond to the relationship of the bond distances.
| 元の言語 | English |
|---|---|
| ページ（範囲） | 616-617 |
| ページ数 | 2 |
| ジャーナル | Chemistry Letters |
| 巻 | 36 |
| 発行部数 | 5 |
| DOI | |
| 出版物ステータス | Published - 2007 5 5 |
ASJC Scopus subject areas
- Chemistry(all)
フィンガープリント Application of bond energy density analysis (Bond-EDA) to Diels-Alder reaction' の研究トピックを掘り下げます。これらはともに一意のフィンガープリントを構成します。
これを引用
Baba, T., Ishii, M., Kikuchi, Y., & Nakai, H. (2007). Application of bond energy density analysis (Bond-EDA) to Diels-Alder reaction. Chemistry Letters, 36(5), 616-617. https://doi.org/10.1246/cl.2007.616