Conformational topology of ribose: A computational study

Abraham F. Jalbout, Ludwik Adamowicz, Lucy M. Ziurys

Research output: Contribution to journalArticle

10 Scopus citations

Abstract

This work concerns the theoretical study of the configurational topology of the ribose molecule. MP2/6-31G** geometry optimizations of the system have yielded several structures corresponding to local minima on the ground-state potential energy surface and the lowest energy configuration was identified. The stability of a few lowest lying conformations has been recalculated at the CCSD(T)/6-31G** level of theory.

Original languageEnglish (US)
Pages (from-to)1-7
Number of pages7
JournalChemical Physics
Volume328
Issue number1-3
DOIs
StatePublished - Sep 29 2006

    Fingerprint

Keywords

  • Ab initio
  • Coupled cluster theory
  • MP2
  • Potential energy surface
  • Ribose

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this