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

2003-08-01
Türker, Burhan Lemi
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.

Citation Formats
B. L. Türker, “A theoretical study on the isomerization of dicarba-closo-dodecaboranes,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol. 631, pp. 181–187, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62277.