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

2003-08-01
Türker, Burhan Lemi
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This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
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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

Department of Chemistry, Article
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