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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 journalArticlepeer-review

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

Keywords

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

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