Direct dynamics study of energy transfer and collision-induced dissociation: Effects of impact energy, geometry, and reactant vibrational mode in H2CO+ - Ne collisions

Jianbo Liu, Kihyung Song, William L. Hase, Scott L. Anderson

Research output: Contribution to journalArticlepeer-review

45 Scopus citations

Abstract

A detailed direct-dynamics, quasiclassical trajectory study of H2CO+(v)+Ne collisions, designed to provide additional insight into the energy transfer dynamics, including vibrational mode effects was reported. This system was nearly ideal for such calculations, being simple enough to run the thousands of trajectories needed to obtained reasonable statistics, and having detailed experimental data to test the calculations and raise interesting dynamical questions. In addition, the nature of the system and energy range of interest minimize problems originating from the inherent limitations of the method.

Original languageEnglish
Pages (from-to)3040-3050
Number of pages11
JournalJournal of Chemical Physics
Volume119
Issue number6
DOIs
StatePublished - Aug 8 2003

Fingerprint Dive into the research topics of 'Direct dynamics study of energy transfer and collision-induced dissociation: Effects of impact energy, geometry, and reactant vibrational mode in H<sub>2</sub>CO<sup>+</sup> - Ne collisions'. Together they form a unique fingerprint.

Cite this