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Curvature-weighted nudged elastic band method using the Riemann curvature

Yuki Mitsuta1,2, Toshio Asada1,2

  • 1Graduate School of Science, Osaka Metropolitan University, Osaka, Japan.

Journal of Computational Chemistry
|November 16, 2022
PubMed

Keywords:
curvature of reaction pathene-reactionminimum energy pathnudged elastic band

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