Northwestern University

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Filtering by: Creator Wenfang Hu Resource type Dissertation

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Theoretical Study of Model Atom+Polyatom Reactions in the Gas Phase: Adiabatic and Nonadiabatic Dynamics

Description:

Direct dynamics quasiclassical trajectory (QCT) calculations are performed to study the dynamics of model atom + polyatom reactions. In the first part of this thesis, we examine adiabatic dynamics of H/O reaction with simple alkanes, CD4 and C2H6. Overall good agreement with state-of-the-art experiments shows that the molecular motion is...

Keyword:

Physical and Chemistry

Subject:

Chemistry

Creator:

Wenfang Hu

Owner:

Scholarly Digital Publishing

Date Uploaded:

08/06/2018

Date Modified:

08/06/2018

Date Created:

2007-09-26

Resource Type:

Dissertation