Title : Direct Dynamics Implementation of the Least-Action Tunneling Transmission Coefficient. Application to the CH4/CD3H/CD4 + CF3 Abstraction Reactions.

Pub. Date : 2010 Oct 12

PMID : 26616766






2 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 Application to the CH4/CD3H/CD4 + CF3 Abstraction Reactions. Methane CD4 molecule Homo sapiens
2 The performance of this algorithm has been tested for the CH4/CD3H/CD4 + CF3 hydrogen abstraction reactions with encouraging results, i.e., when the fitting is performed using 13 points, the algorithm is about 30 times faster than the full calculation with deviations that are smaller than 5%. Methane CD4 molecule Homo sapiens