Ab initio MD simulation of collision reaction between ammonia cluster ion and ammonia monomer

Hiromi Nakai, Yusuke Yamauchi, Aiko Matsuda, Yoshiki Okada, Kazuo Takeuchi

研究成果: Article

7 被引用数 (Scopus)

抄録

Ab initio molecular dynamic (MD) simulations were performed for investigating collision reaction between NH4+(NH3)2 trimer and ND3 monomer. Collision cross-section with the use of three criteria was obtained for the collision energy of 0.1-1.0 eV. The MD simulation showed that the reaction followed by the collision is closely connected with the degree of contact in the first collision.

本文言語English
ページ(範囲)61-67
ページ数7
ジャーナルJournal of Molecular Structure: THEOCHEM
592
1-3
DOI
出版ステータスPublished - 2002 9 13

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

フィンガープリント 「Ab initio MD simulation of collision reaction between ammonia cluster ion and ammonia monomer」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