Density functional calculations of the pseudorotational flexibility of tetrahydrofuran

Marek Štrajbl, Jan Florián

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)166-170
Number of pages5
JournalTheoretical Chemistry Accounts
Volume99
Issue number3
DOIs
StatePublished - May 1998
Externally publishedYes

ASJC Scopus Subject Areas

  • Physical and Theoretical Chemistry

Keywords

  • Ab initio calculations
  • Conformational analysis
  • Density functional theory
  • Pseudorotation
  • Tetrahydrofuran

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