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Doorway mechanism for dissociative electron attachment to fructose
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10.1063/1.2710275
/content/aip/journal/jcp/126/12/10.1063/1.2710275
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/12/10.1063/1.2710275

Figures

Image of FIG. 1.
FIG. 1.

Geometrical structures of neutral fructose isomers: 1, pyranose form; 2, furanose form; 3 and 4, conformers of the open-chain form. Hydrogen, carbon, and oxygen atoms are represented by small, intermediate, and large spheres, respectively. The geometries have been optimized using the MP2 method and the basis set.

Image of FIG. 2.
FIG. 2.

Geometrical structures of a pyranose conformer of neutral fructose with a dipole moment of that supports a dipole-bound state. Hydrogen, carbon, and oxygen atoms are represented by small, intermediate, and large spheres, respectively. The geometry has been optimized using the MP2 method and the basis set.

Image of FIG. 3.
FIG. 3.

Geometrical structures of two conformers of the fructose radical anion. Hydrogen, carbon, and oxygen atoms are represented by small, intermediate, and large spheres, respectively. The geometries have been optimized using the MP2 method and the basis set.

Image of FIG. 4.
FIG. 4.

Geometrical structures of two conformers of the radical anion. Hydrogen, carbon, and oxygen atoms are represented by small, intermediate, and large spheres, respectively. The geometries have been optimized using the MP2 method and the basis set.

Tables

Generic image for table
Table I.

Relative energies and free energies of neutral fructose isomers, fructose anions, and dissociation products. The results have been obtained at the G3(MP2) level, where the energies are evaluated at and the free energies at . All values are in kJ/mol.

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/content/aip/journal/jcp/126/12/10.1063/1.2710275
2007-03-22
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Doorway mechanism for dissociative electron attachment to fructose
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/12/10.1063/1.2710275
10.1063/1.2710275
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