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Journal of Chemical Theory and Computation, 12 March 2024, Volume 20, Issue 5

Journal of Chemical Theory and Computation, 12 March 2024, Volume 20, Issue 5

Posted on 2024/03/12

by sg_portfolio

Ambimodal TS
Chemical Transformations
Cyclopropane Derivatives
Downhill Bifurcation
Intrinsic Reaction Coordinate (IRC) Paths
Mechanical Stress
Pericyclic Reactions
Perturbation-Induced Bifurcations
Reaction Selectivity
Transition State (TS)

ACS
Journal of Chemical Theory and Computation

Journal: Journal of Chemical Theory and Computation
Publisher: ACS
Article Title: Exploring Downhill Bifurcations in [3,3]-Sigmatropic Rearrangement by Finding Transitions from an Uphill Bifurcation to a Downhill Bifurcation
Authors: Takuma Ito, Satoshi Maeda, and Yu Harabuchi
Paper link: https://pubs.acs.org/doi/10.1021/acs.jctc.3c01383
Journal issue link: https://pubs.acs.org/toc/jctcce/20/5