Quasi-classical trajectory analysis with isometric feature mapping and locally linear embedding: deep insights into the multichannel reaction on an NH3+(4A) potential energy surface
Author:
Affiliation:
1. Key Laboratory of Synthetic and Natural Functional Molecule of the Ministry of Education
2. College of Chemistry and Materials Science
3. Northwest University
4. Xi’an
5. P. R. China
Abstract
Two manifold learning methods, isometric feature mapping and locally linear embedding, are applied to the analysis of quasi-classical trajectories for multi-channel reaction NH+ + H2 → N + H3+/NH2+ + H.
Funder
National Natural Science Foundation of China
National Basic Research Program of China
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01941K
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