Molecular dynamics simulations and machine-learning assisted study of the reaction path bifurcation: Application to the intramolecular Diels–Alder cycloaddition between cyclobutadiene and butadiene-Reference-Cited by-同舟云学术

Molecular dynamics simulations and machine-learning assisted study of the reaction path bifurcation: Application to the intramolecular Diels–Alder cycloaddition between cyclobutadiene and butadiene

Published:2023-09 Issue: Volume:1227 Page:114239
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Murakami Tatsuhiro^ORCID,Ibuki Shunichi,Takayanagi Toshiyuki^ORCID

Funder

Japan Society for the Promotion of Science

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

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