Artificial Force-Induced Reaction Method for Systematic Elucidation of Mechanism and Selectivity in Organometallic Reactions

Miho Hatanaka, Takayoshi Yoshimura, Satoshi Maeda

研究成果: Chapter

3 被引用数 (Scopus)

抄録

The computational methods to find the transition states (TSs) are powerful to understand the mechanisms of organometallic reactions. Recently, automatic and systematic search methods of reaction pathways have attracted attention. Among them, one of the most successful methods is the artificial force-induced reaction (AFIR) method. The advantage of the AFIR method is that the reaction pathways can be explored without the prejudgment of the products as well as the reaction coordinates. In this chapter, the concept and algorithms of the AFIR method are described. We also introduce the recent AFIR studies about organometallic reactions and show how the exhaustively gathered TSs contribute to a better understanding of the reaction mechanism and the origin of the selectivity.

本文言語English
ホスト出版物のタイトルTopics in Organometallic Chemistry
出版社Springer Science and Business Media Deutschland GmbH
ページ57-80
ページ数24
DOI
出版ステータスPublished - 2020

出版物シリーズ

名前Topics in Organometallic Chemistry
67
ISSN(印刷版)1436-6002
ISSN(電子版)1616-8534

ASJC Scopus subject areas

  • 触媒
  • 有機化学
  • 無機化学

フィンガープリント

「Artificial Force-Induced Reaction Method for Systematic Elucidation of Mechanism and Selectivity in Organometallic Reactions」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル