Vibrational frequencies of proline and hydroxyproline an ab initio study

P. Tarakeshwar, S. Manogaran

Research output: Contribution to journalArticlepeer-review

21 Scopus citations


The vibrational frequencies of two conformations of proline and hydroxyproline in the non-ionized form have been evaluated using the ab initio method at the HF/4-21G level. The barrier heights of the rotation of the carboxy and hydroxy hydrogen atoms have been evaluated at the HF/4-21G level. The calculated frequencies are assigned to the experimental vibrational spectra of proline and hydroxyproline.

Original languageEnglish (US)
Pages (from-to)167-181
Number of pages15
JournalJournal of Molecular Structure: THEOCHEM
Issue number2-3
StatePublished - Jun 28 1996
Externally publishedYes


  • Ab initio calculation
  • Hydroxyproline
  • Proline
  • Vibrational frequency

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry


Dive into the research topics of 'Vibrational frequencies of proline and hydroxyproline an ab initio study'. Together they form a unique fingerprint.

Cite this