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One-Dimensional Projection of Collective Variables for Effective Sampling of Complex Chemical Reaction Coordinates

Yong Su Baek1, Cheol Ho Choi1

  • 1Department of Chemistry and Green-Nano Materials Research Center, College of Natural Sciences , Kyungpook National University , Sangyeok, Bukgu, Daegu 702-701 , South Korea.

Journal of Chemical Theory and Computation
|April 10, 2018
PubMed

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