Conformational topology of ribose: A computational study

Abraham F. Jalbout, Ludwik Adamowicz, Lucy M Ziurys

Research output: Contribution to journalArticle

9 Citations (Scopus)

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

ribose
Potential energy surfaces
Ribose
Ground state
Conformations
topology
potential energy
Topology
Molecules
optimization
ground state
Geometry
geometry
configurations
molecules
energy

Keywords

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

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Conformational topology of ribose : A computational study. / Jalbout, Abraham F.; Adamowicz, Ludwik; Ziurys, Lucy M.

In: Chemical Physics, Vol. 328, No. 1-3, 29.09.2006, p. 1-7.

Research output: Contribution to journalArticle

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