A theoretical study on the isomerization of dicarba-closo-dodecaboranes

2003-08-01
Türker, Burhan Lemi
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Within the limitations of AM1 (RHF) type semiempirical molecular orbital calculations, 1,2-; 1,7- and 1,12-dicarba-closo-dodecaboranes were considered. Their isomerization transition state geometries were determined and vibrational spectra for the transition states were obtained by using quadratic synchronous change method.
Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics
https://hdl.handle.net/11511/62277
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Department of Chemistry, Article

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Citation Formats
B. L. Türker, “A theoretical study on the isomerization of dicarba-closo-dodecaboranes,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 181–187, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62277.
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