Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices

  1. Hare, S.R.
  2. Bratholm, L.A.
  3. Glowacki, D.R.
  4. Carpenter, B.K.
Journal:
Chemical Science

ISSN: 2041-6539 2041-6520

Year of publication: 2019

Volume: 10

Issue: 43

Pages: 9954-9968

Type: Article

DOI: 10.1039/C9SC02742D GOOGLE SCHOLAR lock_openOpen access editor