Removing external degrees of freedom from transition state search methods using quaternions

Research output: Contribution to journalArticleScientificpeer-review

11 Citations (Scopus)
Original languageEnglish
Pages (from-to)1055-1062
Number of pages8
JournalJournal of Chemical Theory and Computation
Volume11
Issue number3
DOIs
Publication statusPublished - 2015
MoE publication typeA1 Journal article-refereed

Keywords

  • degrees of freedom
  • quaternions
  • search methods
  • transition state

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