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Volumn 128, Issue 9, 2008, Pages

G3 and density functional theory investigations of the structures and energies of S Fn Cl (n=0-5) and their anions

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITY; MAGNETIC MOMENTS; MOLECULAR STRUCTURE; NEGATIVE IONS;

EID: 40549099405     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2831770     Document Type: Article
Times cited : (12)

References (27)
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    • GAUSSIAN 03, Revision C.02, Gaussian, Inc., Wallingford, CT.
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    • (2004)
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    • JCPSA6 0021-9606 10.1063/1.464913, ();, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.16533 54, 16533 (1993);, in Electron Density Functional Theory: Recent Progress and New Directions, edited by J. F. Dobson, G. Vignale, and M. P. Das (Plenum, New York, 1998).
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    • See EPAPS Document No. E-JCPSA6-128-020805 for B3LYP6-311+G (3df) geometries and frequencies, and MP2 (Full) 6-31G (d) geometries for the S Fn Cl neutrals and anions. This document can be reached through a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aiorg/pubservs/epaps.html).
    • See EPAPS Document No. E-JCPSA6-128-020805 for B3LYP6-311+G (3df) geometries and frequencies, and MP2 (Full) 6-31G (d) geometries for the S Fn Cl neutrals and anions. This document can be reached through a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html).
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