Conformational topology of ribose: A computational study

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

doi:10.1016/j.chemphys.2006.03.026

Conformational topology of ribose: A computational study

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

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11 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 language	English (US)
Pages (from-to)	1-7
Number of pages	7
Journal	Chemical Physics
Volume	328
Issue number	1-3
DOIs	https://doi.org/10.1016/j.chemphys.2006.03.026
State	Published - Sep 29 2006

Keywords

Ab initio
Coupled cluster theory
MP2
Potential energy surface
Ribose

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.chemphys.2006.03.026

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title = "Conformational topology of ribose: A computational study",

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.",

keywords = "Ab initio, Coupled cluster theory, MP2, Potential energy surface, Ribose",

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AU - Adamowicz, Ludwik

AU - Ziurys, Lucy M.

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Y1 - 2006/9/29

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AB - 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.

KW - Ab initio

KW - Coupled cluster theory

KW - MP2

KW - Potential energy surface

KW - Ribose

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Conformational topology of ribose: A computational study

Abstract

Keywords

ASJC Scopus subject areas

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