Using Electronic Energy Derivative Information in Automated Potential Energy Surface Construction for Vibrational Calculations

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  • Department of Chemistry
Original languageEnglish
JournalJournal of Chemical Theory and Computation
Pages (from-to)3162-3175
Number of pages14
Publication statusPublished - 17 Sep 2010

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ID: 22391722