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 |
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ページ(範囲) | 61-67 |
ページ数 | 7 |
ジャーナル | Journal of Molecular Structure: THEOCHEM |
巻 | 592 |
号 | 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