Loading...
Barrierless association of CF(2) and dissociation of C(2)F(4) by variational transition-state theory and system-specific quantum Rice–Ramsperger–Kassel theory
Bond dissociation is a fundamental chemical reaction, and the first principles modeling of the kinetics of dissociation reactions with a monotonically increasing potential energy along the dissociation coordinate presents a challenge not only for modern electronic structure methods but also for kine...
Saved in:
| Published in: | Proc Natl Acad Sci U S A |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
National Academy of Sciences
2016
|
| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5137698/ https://ncbi.nlm.nih.gov/pubmed/27834727 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1616208113 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|