An ab initio exploratory study of the full conformational space of MeCO-L-threonine-NH-Me

MA Sahai, SS Motiwala, GA Chass, EF Pai, B Penke, IG Csizmadia

Research output: Contribution to journalArticle

Original languageEnglish
Pages (from-to)251-267
JournalJournal of molecular structure-theochem
Volume666
DOIs
Publication statusPublished - 29 Dec 2003
Externally publishedYes

Keywords

  • N-acetyl-L-threonine-N-methylamide
  • ab initio geometry optimizations
  • backbone and sidechain conformations
  • Intramolecular hydrogen bonding
  • stabilization energies

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