Comparison of Levels of Electronic Structure Theory in Direct Dynamics Simulations of C2H5F → HF + C2H4 Product Energy Partitioning-Reference-Cited by-同舟云学术

Comparison of Levels of Electronic Structure Theory in Direct Dynamics Simulations of C2H5F → HF + C2H4 Product Energy Partitioning

Published:2005-09-13 Issue:4 Volume:110 Page:1484-1490
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Dong Eunjung¹,Setser Donald W.¹,Hase William L.¹,Song Kihyung¹

Affiliation:

1. Department of Chemistry, Korea National University of Education, Chongwon, Chungbuk 363-791 Korea, Department of Chemistry, Kansas State University, Manhattan, Kansas 66506-3701, and Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp052888p

Reference21 articles.

1. Ab initiodirect dynamics trajectory simulation of C2H5F→C2H4+HF product energy partitioning

2. IR multiple photon dissociation of fluorinated ethanes and ethylenes: HF vibrational energy distributions

3. Hydrogen fluoride/hydrogen chloride vibrational and rotational distributions from three- and four-centered unimolecular elimination reactions

4. Nonequilibrium unimolecular reactions and collisional deactivation of chemically activated fluoroethane and 1,1,1-trifluoroethane

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