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A. P. POPOV and I. V. BAZHIN
«Equilibrium Configuration and Electronic Structure of C32H8 Molecules Isomers»
011–014 (2009)

PACS numbers: 71.15.Mb, 73.22.-f, 78.30.Jw, 78.40.Me, 78.30.Na, 78.40.Ri, 81.05.Tp

Within the scope of the electron density functional theory and PM3 semiempirical method, geometrical parameters of equilibrium configuration, total energy, heat of formation, and absorption spectra in infrared and ultraviolet ranges are calculated for various isomers of C32H8 molecule.